USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=56 USER MOD reduce.3.24.130724 removed 778 hydrogens (103 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 78 ASNHD21 : A 78 ASN ND2 : A 178 NAG C1 :(H bumps) USER MOD Set 1.1: A 184 NAG O6 : rot -58:sc= -0.0425! USER MOD Set 1.2: A 185 GAL O2 : rot -152:sc= -2.47! USER MOD Set 2.1: A 83 HIS :FLIP no HD1:sc= -3.96! C(o=-6.4!,f=-4.1!) USER MOD Set 2.2: A 85 SER OG : rot -77:sc= -0.145 USER MOD Set 3.1: A 57 SER OG : rot -82:sc= 0.316! USER MOD Set 3.2: A 58 THR OG1 : rot 67:sc= -0.422! USER MOD Set 4.1: A 46 THR OG1 : rot 175:sc= 0.148 USER MOD Set 4.2: A 50 GLN :FLIP amide:sc= -3.11! C(o=-6.1!,f=-3!) USER MOD Set 5.1: A 13 GLN : amide:sc= -0.763 K(o=-1.3,f=-5.6!) USER MOD Set 5.2: A 29 MET CE :methyl -144:sc= -0.554 (180deg=-1.8!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 15 ASN :FLIP amide:sc= -15.9! C(o=-21!,f=-16!) USER MOD Single : A 19 SER OG : rot -58:sc= 0.885 USER MOD Single : A 20 GLN : amide:sc= -1.82 K(o=-1.8,f=-4.9!) USER MOD Single : A 27 GLN : amide:sc= -0.0709 X(o=-0.071,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 53:sc= 0.148 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 178:sc= 0.404 (180deg=0.403) USER MOD Single : A 47 MET CE :methyl -173:sc= -0.2 (180deg=-0.322) USER MOD Single : A 51 LYS NZ :NH3+ -142:sc= -0.231 (180deg=-0.805) USER MOD Single : A 52 ASN : amide:sc=-0.00276 X(o=-0.0028,f=-0.066) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.709 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -126:sc= -0.0707 (180deg=-0.547) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.109 K(o=-0.11,f=-2.5!) USER MOD Single : A 69 THR OG1 : rot -58:sc= 1.11 USER MOD Single : A 71 MET CE :methyl 153:sc= -0.138 (180deg=-1.13) USER MOD Single : A 75 LYS NZ :NH3+ -169:sc= -0.625 (180deg=-1.09) USER MOD Single : A 79 HIS : no HD1:sc= -28.5! C(o=-29!,f=-32!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -2.28! USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS :FLIP no HE2:sc= -2.19! C(o=-3.6!,f=-2.2!) USER MOD Single : A 91 LYS NZ :NH3+ 142:sc= -0.392 (180deg=-1.89!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 178 NAG O3 : rot 180:sc= 0 USER MOD Single : A 178 NAG O6 : rot 180:sc= -0.0102 USER MOD Single : A 179 NAG O3 : rot -107:sc= 0.288! USER MOD Single : A 179 NAG O6 : rot -38:sc= 0.0437 USER MOD Single : A 180 BMA O2 : rot 148:sc= 0.0664 USER MOD Single : A 180 BMA O4 : rot 160:sc= 0 USER MOD Single : A 181 MAN O3 : rot -23:sc= 1.26 USER MOD Single : A 181 MAN O4 : rot 160:sc= 0 USER MOD Single : A 181 MAN O6 : rot 180:sc= -0.0117 USER MOD Single : A 182 MAN O3 : rot 19:sc= 0.0655 USER MOD Single : A 182 MAN O4 : rot 160:sc= 0 USER MOD Single : A 182 MAN O6 : rot 35:sc= 0.00304 USER MOD Single : A 183 NAG O3 : rot 127:sc= 0.157 USER MOD Single : A 183 NAG O6 : rot 36:sc= 0.00496 USER MOD Single : A 184 NAG O3 : rot -170:sc= 0 USER MOD Single : A 185 GAL O3 : rot 91:sc= 0.105 USER MOD Single : A 185 GAL O4 : rot 91:sc= 0.0934 USER MOD Single : A 185 GAL O6 : rot 180:sc= 0 USER MOD Single : A 186 GAL O2 : rot 180:sc= 0 USER MOD Single : A 186 GAL O3 : rot 90:sc= 0.0714 USER MOD Single : A 186 GAL O4 : rot 133:sc= 1.23 USER MOD Single : A 186 GAL O6 : rot 180:sc= 0.815 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -4.496 -0.748 -20.567 1.00 0.00 N ATOM 2 CA ALA A 1 -4.740 -0.137 -19.235 1.00 0.00 C ATOM 3 C ALA A 1 -6.088 -0.576 -18.676 1.00 0.00 C ATOM 4 O ALA A 1 -7.133 -0.049 -19.061 1.00 0.00 O ATOM 5 CB ALA A 1 -4.671 1.381 -19.329 1.00 0.00 C ATOM 0 H1 ALA A 1 -3.572 -0.435 -20.929 1.00 0.00 H new ATOM 0 H2 ALA A 1 -4.501 -1.784 -20.480 1.00 0.00 H new ATOM 0 H3 ALA A 1 -5.244 -0.453 -21.227 1.00 0.00 H new ATOM 0 HA ALA A 1 -3.962 -0.480 -18.553 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -4.852 1.815 -18.346 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -3.684 1.679 -19.681 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -5.428 1.737 -20.027 1.00 0.00 H new ATOM 13 N PRO A 2 -6.080 -1.552 -17.757 1.00 0.00 N ATOM 14 CA PRO A 2 -7.303 -2.074 -17.138 1.00 0.00 C ATOM 15 C PRO A 2 -8.035 -1.012 -16.329 1.00 0.00 C ATOM 16 O PRO A 2 -7.492 0.059 -16.053 1.00 0.00 O ATOM 17 CB PRO A 2 -6.802 -3.193 -16.215 1.00 0.00 C ATOM 18 CG PRO A 2 -5.425 -3.510 -16.692 1.00 0.00 C ATOM 19 CD PRO A 2 -4.878 -2.227 -17.248 1.00 0.00 C ATOM 0 HA PRO A 2 -8.018 -2.415 -17.886 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -6.793 -2.870 -15.174 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -7.449 -4.068 -16.271 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -4.804 -3.878 -15.876 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -5.445 -4.289 -17.454 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -4.376 -1.636 -16.482 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -4.150 -2.407 -18.039 1.00 0.00 H new ATOM 27 N ASP A 3 -9.271 -1.313 -15.950 1.00 0.00 N ATOM 28 CA ASP A 3 -10.074 -0.381 -15.169 1.00 0.00 C ATOM 29 C ASP A 3 -10.914 -1.121 -14.134 1.00 0.00 C ATOM 30 O ASP A 3 -11.060 -0.666 -12.999 1.00 0.00 O ATOM 31 CB ASP A 3 -10.980 0.443 -16.085 1.00 0.00 C ATOM 32 CG ASP A 3 -11.615 1.613 -15.362 1.00 0.00 C ATOM 33 OD1 ASP A 3 -10.869 2.501 -14.900 1.00 0.00 O ATOM 34 OD2 ASP A 3 -12.860 1.641 -15.257 1.00 0.00 O ATOM 0 H ASP A 3 -9.738 -2.193 -16.170 1.00 0.00 H new ATOM 0 HA ASP A 3 -9.394 0.292 -14.646 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -10.399 0.813 -16.930 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -11.762 -0.198 -16.492 1.00 0.00 H new ATOM 39 N VAL A 4 -11.462 -2.266 -14.530 1.00 0.00 N ATOM 40 CA VAL A 4 -12.286 -3.069 -13.636 1.00 0.00 C ATOM 41 C VAL A 4 -11.766 -4.502 -13.556 1.00 0.00 C ATOM 42 O VAL A 4 -11.369 -5.085 -14.564 1.00 0.00 O ATOM 43 CB VAL A 4 -13.765 -3.069 -14.087 1.00 0.00 C ATOM 44 CG1 VAL A 4 -14.088 -4.290 -14.939 1.00 0.00 C ATOM 45 CG2 VAL A 4 -14.692 -2.994 -12.884 1.00 0.00 C ATOM 0 H VAL A 4 -11.350 -2.658 -15.465 1.00 0.00 H new ATOM 0 HA VAL A 4 -12.227 -2.619 -12.645 1.00 0.00 H new ATOM 0 HB VAL A 4 -13.924 -2.184 -14.703 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -15.136 -4.258 -15.239 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -13.456 -4.291 -15.827 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -13.903 -5.196 -14.361 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -15.728 -2.995 -13.222 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -14.520 -3.855 -12.238 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -14.493 -2.078 -12.328 1.00 0.00 H new ATOM 55 N GLN A 5 -11.765 -5.065 -12.352 1.00 0.00 N ATOM 56 CA GLN A 5 -11.290 -6.428 -12.149 1.00 0.00 C ATOM 57 C GLN A 5 -9.778 -6.514 -12.335 1.00 0.00 C ATOM 58 O GLN A 5 -9.090 -5.494 -12.370 1.00 0.00 O ATOM 59 CB GLN A 5 -11.993 -7.380 -13.118 1.00 0.00 C ATOM 60 CG GLN A 5 -13.503 -7.210 -13.140 1.00 0.00 C ATOM 61 CD GLN A 5 -14.180 -7.849 -11.943 1.00 0.00 C ATOM 62 OE1 GLN A 5 -14.060 -7.367 -10.817 1.00 0.00 O ATOM 63 NE2 GLN A 5 -14.898 -8.939 -12.184 1.00 0.00 N ATOM 0 H GLN A 5 -12.087 -4.599 -11.504 1.00 0.00 H new ATOM 0 HA GLN A 5 -11.525 -6.721 -11.126 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -11.602 -7.219 -14.122 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -11.754 -8.408 -12.844 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -13.745 -6.147 -13.165 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -13.901 -7.649 -14.055 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -14.969 -9.303 -13.134 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -15.379 -9.413 -11.419 1.00 0.00 H new ATOM 72 N ASP A 6 -9.267 -7.736 -12.450 1.00 0.00 N ATOM 73 CA ASP A 6 -7.834 -7.951 -12.628 1.00 0.00 C ATOM 74 C ASP A 6 -7.036 -6.920 -11.840 1.00 0.00 C ATOM 75 O ASP A 6 -6.425 -6.020 -12.414 1.00 0.00 O ATOM 76 CB ASP A 6 -7.463 -7.880 -14.110 1.00 0.00 C ATOM 77 CG ASP A 6 -8.183 -8.930 -14.935 1.00 0.00 C ATOM 78 OD1 ASP A 6 -8.393 -10.048 -14.419 1.00 0.00 O ATOM 79 OD2 ASP A 6 -8.535 -8.634 -16.097 1.00 0.00 O ATOM 0 H ASP A 6 -9.822 -8.591 -12.423 1.00 0.00 H new ATOM 0 HA ASP A 6 -7.589 -8.944 -12.252 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -7.705 -6.890 -14.496 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -6.386 -8.011 -14.219 1.00 0.00 H new ATOM 84 N CYS A 7 -7.055 -7.056 -10.518 1.00 0.00 N ATOM 85 CA CYS A 7 -6.343 -6.135 -9.643 1.00 0.00 C ATOM 86 C CYS A 7 -5.503 -6.896 -8.621 1.00 0.00 C ATOM 87 O CYS A 7 -6.009 -7.769 -7.917 1.00 0.00 O ATOM 88 CB CYS A 7 -7.340 -5.223 -8.927 1.00 0.00 C ATOM 89 SG CYS A 7 -6.750 -3.518 -8.683 1.00 0.00 S ATOM 0 H CYS A 7 -7.557 -7.797 -10.029 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.673 -5.528 -10.252 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.267 -5.196 -9.500 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.578 -5.656 -7.955 1.00 0.00 H new ATOM 94 N PRO A 8 -4.205 -6.571 -8.527 1.00 0.00 N ATOM 95 CA PRO A 8 -3.295 -7.225 -7.585 1.00 0.00 C ATOM 96 C PRO A 8 -3.541 -6.782 -6.147 1.00 0.00 C ATOM 97 O PRO A 8 -4.252 -5.808 -5.901 1.00 0.00 O ATOM 98 CB PRO A 8 -1.913 -6.778 -8.058 1.00 0.00 C ATOM 99 CG PRO A 8 -2.148 -5.463 -8.721 1.00 0.00 C ATOM 100 CD PRO A 8 -3.524 -5.538 -9.331 1.00 0.00 C ATOM 0 HA PRO A 8 -3.423 -8.307 -7.575 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.220 -6.682 -7.222 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.479 -7.499 -8.751 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.086 -4.647 -8.000 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.394 -5.272 -9.484 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.041 -4.580 -9.273 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.481 -5.814 -10.385 1.00 0.00 H new ATOM 108 N GLU A 9 -2.953 -7.505 -5.199 1.00 0.00 N ATOM 109 CA GLU A 9 -3.113 -7.188 -3.792 1.00 0.00 C ATOM 110 C GLU A 9 -2.517 -5.828 -3.465 1.00 0.00 C ATOM 111 O GLU A 9 -1.683 -5.302 -4.201 1.00 0.00 O ATOM 112 CB GLU A 9 -2.464 -8.265 -2.924 1.00 0.00 C ATOM 113 CG GLU A 9 -3.413 -8.872 -1.904 1.00 0.00 C ATOM 114 CD GLU A 9 -2.706 -9.786 -0.922 1.00 0.00 C ATOM 115 OE1 GLU A 9 -2.369 -10.924 -1.310 1.00 0.00 O ATOM 116 OE2 GLU A 9 -2.492 -9.364 0.234 1.00 0.00 O ATOM 0 H GLU A 9 -2.361 -8.315 -5.384 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.181 -7.155 -3.577 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.079 -9.056 -3.567 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.609 -7.834 -2.403 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -3.912 -8.072 -1.356 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.189 -9.434 -2.424 1.00 0.00 H new ATOM 123 N CYS A 10 -2.958 -5.271 -2.349 1.00 0.00 N ATOM 124 CA CYS A 10 -2.485 -3.969 -1.898 1.00 0.00 C ATOM 125 C CYS A 10 -1.277 -4.119 -0.979 1.00 0.00 C ATOM 126 O CYS A 10 -1.392 -4.633 0.134 1.00 0.00 O ATOM 127 CB CYS A 10 -3.608 -3.226 -1.171 1.00 0.00 C ATOM 128 SG CYS A 10 -3.029 -1.937 -0.021 1.00 0.00 S ATOM 0 H CYS A 10 -3.648 -5.702 -1.734 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.182 -3.393 -2.772 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -4.264 -2.768 -1.911 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -4.207 -3.949 -0.617 1.00 0.00 H new ATOM 133 N THR A 11 -0.120 -3.668 -1.449 1.00 0.00 N ATOM 134 CA THR A 11 1.103 -3.752 -0.664 1.00 0.00 C ATOM 135 C THR A 11 2.270 -3.123 -1.404 1.00 0.00 C ATOM 136 O THR A 11 2.113 -2.572 -2.490 1.00 0.00 O ATOM 137 CB THR A 11 1.427 -5.205 -0.319 1.00 0.00 C ATOM 138 OG1 THR A 11 2.452 -5.271 0.658 1.00 0.00 O ATOM 139 CG2 THR A 11 1.877 -6.018 -1.514 1.00 0.00 C ATOM 0 H THR A 11 -0.004 -3.241 -2.368 1.00 0.00 H new ATOM 0 HA THR A 11 0.941 -3.199 0.261 1.00 0.00 H new ATOM 0 HB THR A 11 0.495 -5.628 0.057 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.645 -6.209 0.867 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.091 -7.039 -1.199 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.088 -6.028 -2.266 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.777 -5.573 -1.939 1.00 0.00 H new ATOM 147 N LEU A 12 3.436 -3.200 -0.790 1.00 0.00 N ATOM 148 CA LEU A 12 4.645 -2.629 -1.355 1.00 0.00 C ATOM 149 C LEU A 12 5.051 -3.289 -2.653 1.00 0.00 C ATOM 150 O LEU A 12 5.128 -4.514 -2.757 1.00 0.00 O ATOM 151 CB LEU A 12 5.764 -2.733 -0.343 1.00 0.00 C ATOM 152 CG LEU A 12 5.614 -1.791 0.840 1.00 0.00 C ATOM 153 CD1 LEU A 12 4.234 -1.919 1.461 1.00 0.00 C ATOM 154 CD2 LEU A 12 6.692 -2.080 1.865 1.00 0.00 C ATOM 0 H LEU A 12 3.572 -3.658 0.111 1.00 0.00 H new ATOM 0 HA LEU A 12 4.441 -1.584 -1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.814 -3.758 0.025 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.711 -2.527 -0.841 1.00 0.00 H new ATOM 0 HG LEU A 12 5.727 -0.765 0.488 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.150 -1.235 2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.476 -1.672 0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.084 -2.942 1.806 1.00 0.00 H new ATOM 0 HD21 LEU A 12 6.580 -1.402 2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.599 -3.110 2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.673 -1.936 1.412 1.00 0.00 H new ATOM 166 N GLN A 13 5.330 -2.452 -3.639 1.00 0.00 N ATOM 167 CA GLN A 13 5.755 -2.922 -4.944 1.00 0.00 C ATOM 168 C GLN A 13 7.177 -2.496 -5.215 1.00 0.00 C ATOM 169 O GLN A 13 7.467 -1.779 -6.171 1.00 0.00 O ATOM 170 CB GLN A 13 4.845 -2.397 -6.021 1.00 0.00 C ATOM 171 CG GLN A 13 3.382 -2.687 -5.754 1.00 0.00 C ATOM 172 CD GLN A 13 2.631 -3.115 -6.999 1.00 0.00 C ATOM 173 OE1 GLN A 13 1.865 -2.343 -7.574 1.00 0.00 O ATOM 174 NE2 GLN A 13 2.848 -4.356 -7.422 1.00 0.00 N ATOM 0 H GLN A 13 5.269 -1.437 -3.557 1.00 0.00 H new ATOM 0 HA GLN A 13 5.704 -4.011 -4.949 1.00 0.00 H new ATOM 0 HB2 GLN A 13 4.985 -1.320 -6.114 1.00 0.00 H new ATOM 0 HB3 GLN A 13 5.129 -2.839 -6.976 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.303 -3.471 -5.000 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.910 -1.797 -5.339 1.00 0.00 H new ATOM 0 HE21 GLN A 13 3.492 -4.963 -6.914 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.371 -4.702 -8.254 1.00 0.00 H new ATOM 183 N GLU A 14 8.030 -2.946 -4.331 1.00 0.00 N ATOM 184 CA GLU A 14 9.463 -2.656 -4.363 1.00 0.00 C ATOM 185 C GLU A 14 9.828 -1.686 -5.472 1.00 0.00 C ATOM 186 O GLU A 14 9.533 -1.902 -6.647 1.00 0.00 O ATOM 187 CB GLU A 14 10.285 -3.929 -4.509 1.00 0.00 C ATOM 188 CG GLU A 14 11.733 -3.770 -4.062 1.00 0.00 C ATOM 189 CD GLU A 14 12.617 -4.907 -4.536 1.00 0.00 C ATOM 190 OE1 GLU A 14 12.075 -5.889 -5.088 1.00 0.00 O ATOM 191 OE2 GLU A 14 13.849 -4.818 -4.356 1.00 0.00 O ATOM 0 H GLU A 14 7.754 -3.538 -3.547 1.00 0.00 H new ATOM 0 HA GLU A 14 9.700 -2.187 -3.408 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.818 -4.723 -3.926 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.267 -4.246 -5.552 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.125 -2.827 -4.442 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.770 -3.715 -2.974 1.00 0.00 H new ATOM 198 N ASN A 15 10.484 -0.621 -5.068 1.00 0.00 N ATOM 199 CA ASN A 15 10.921 0.422 -5.981 1.00 0.00 C ATOM 200 C ASN A 15 11.703 -0.148 -7.157 1.00 0.00 C ATOM 201 O ASN A 15 12.718 -0.819 -6.971 1.00 0.00 O ATOM 202 CB ASN A 15 11.784 1.428 -5.240 1.00 0.00 C ATOM 203 CG ASN A 15 11.759 2.796 -5.885 1.00 0.00 C ATOM 204 OD1 ASN A 15 11.731 3.824 -5.055 1.00 0.00 O flip ATOM 205 ND2 ASN A 15 11.766 2.924 -7.108 1.00 0.00 N flip ATOM 0 H ASN A 15 10.732 -0.449 -4.094 1.00 0.00 H new ATOM 0 HA ASN A 15 10.030 0.912 -6.373 1.00 0.00 H new ATOM 0 HB2 ASN A 15 11.439 1.509 -4.209 1.00 0.00 H new ATOM 0 HB3 ASN A 15 12.811 1.065 -5.205 1.00 0.00 H new ATOM 0 HD21 ASN A 15 11.788 2.099 -7.707 1.00 0.00 H new ATOM 0 HD22 ASN A 15 11.750 3.855 -7.523 1.00 0.00 H new ATOM 212 N PRO A 16 11.248 0.127 -8.386 1.00 0.00 N ATOM 213 CA PRO A 16 11.914 -0.341 -9.595 1.00 0.00 C ATOM 214 C PRO A 16 13.063 0.578 -9.993 1.00 0.00 C ATOM 215 O PRO A 16 13.500 0.588 -11.145 1.00 0.00 O ATOM 216 CB PRO A 16 10.800 -0.298 -10.636 1.00 0.00 C ATOM 217 CG PRO A 16 9.903 0.811 -10.194 1.00 0.00 C ATOM 218 CD PRO A 16 10.053 0.931 -8.694 1.00 0.00 C ATOM 0 HA PRO A 16 12.363 -1.327 -9.477 1.00 0.00 H new ATOM 0 HB2 PRO A 16 11.198 -0.110 -11.633 1.00 0.00 H new ATOM 0 HB3 PRO A 16 10.264 -1.246 -10.680 1.00 0.00 H new ATOM 0 HG2 PRO A 16 10.175 1.746 -10.685 1.00 0.00 H new ATOM 0 HG3 PRO A 16 8.868 0.600 -10.462 1.00 0.00 H new ATOM 0 HD2 PRO A 16 10.182 1.969 -8.388 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.173 0.552 -8.174 1.00 0.00 H new ATOM 226 N PHE A 17 13.543 1.353 -9.025 1.00 0.00 N ATOM 227 CA PHE A 17 14.637 2.288 -9.250 1.00 0.00 C ATOM 228 C PHE A 17 15.676 2.167 -8.144 1.00 0.00 C ATOM 229 O PHE A 17 16.868 2.000 -8.406 1.00 0.00 O ATOM 230 CB PHE A 17 14.107 3.720 -9.284 1.00 0.00 C ATOM 231 CG PHE A 17 15.193 4.757 -9.350 1.00 0.00 C ATOM 232 CD1 PHE A 17 15.829 5.185 -8.196 1.00 0.00 C ATOM 233 CD2 PHE A 17 15.578 5.303 -10.565 1.00 0.00 C ATOM 234 CE1 PHE A 17 16.828 6.138 -8.250 1.00 0.00 C ATOM 235 CE2 PHE A 17 16.577 6.257 -10.625 1.00 0.00 C ATOM 236 CZ PHE A 17 17.203 6.675 -9.466 1.00 0.00 C ATOM 0 H PHE A 17 13.187 1.350 -8.069 1.00 0.00 H new ATOM 0 HA PHE A 17 15.100 2.047 -10.207 1.00 0.00 H new ATOM 0 HB2 PHE A 17 13.451 3.836 -10.147 1.00 0.00 H new ATOM 0 HB3 PHE A 17 13.500 3.896 -8.396 1.00 0.00 H new ATOM 0 HD1 PHE A 17 15.540 4.769 -7.242 1.00 0.00 H new ATOM 0 HD2 PHE A 17 15.093 4.980 -11.474 1.00 0.00 H new ATOM 0 HE1 PHE A 17 17.315 6.463 -7.342 1.00 0.00 H new ATOM 0 HE2 PHE A 17 16.868 6.675 -11.577 1.00 0.00 H new ATOM 0 HZ PHE A 17 17.984 7.420 -9.511 1.00 0.00 H new ATOM 246 N PHE A 18 15.205 2.262 -6.907 1.00 0.00 N ATOM 247 CA PHE A 18 16.074 2.174 -5.743 1.00 0.00 C ATOM 248 C PHE A 18 16.462 0.732 -5.462 1.00 0.00 C ATOM 249 O PHE A 18 17.342 0.466 -4.644 1.00 0.00 O ATOM 250 CB PHE A 18 15.371 2.762 -4.522 1.00 0.00 C ATOM 251 CG PHE A 18 16.151 3.848 -3.847 1.00 0.00 C ATOM 252 CD1 PHE A 18 16.295 5.087 -4.446 1.00 0.00 C ATOM 253 CD2 PHE A 18 16.747 3.627 -2.618 1.00 0.00 C ATOM 254 CE1 PHE A 18 17.019 6.089 -3.830 1.00 0.00 C ATOM 255 CE2 PHE A 18 17.476 4.624 -1.998 1.00 0.00 C ATOM 256 CZ PHE A 18 17.613 5.857 -2.605 1.00 0.00 C ATOM 0 H PHE A 18 14.219 2.401 -6.685 1.00 0.00 H new ATOM 0 HA PHE A 18 16.980 2.743 -5.952 1.00 0.00 H new ATOM 0 HB2 PHE A 18 14.402 3.157 -4.826 1.00 0.00 H new ATOM 0 HB3 PHE A 18 15.179 1.964 -3.804 1.00 0.00 H new ATOM 0 HD1 PHE A 18 15.836 5.273 -5.406 1.00 0.00 H new ATOM 0 HD2 PHE A 18 16.641 2.665 -2.138 1.00 0.00 H new ATOM 0 HE1 PHE A 18 17.121 7.053 -4.306 1.00 0.00 H new ATOM 0 HE2 PHE A 18 17.938 4.439 -1.040 1.00 0.00 H new ATOM 0 HZ PHE A 18 18.183 6.638 -2.123 1.00 0.00 H new ATOM 266 N SER A 19 15.802 -0.196 -6.139 1.00 0.00 N ATOM 267 CA SER A 19 16.082 -1.612 -5.952 1.00 0.00 C ATOM 268 C SER A 19 17.522 -1.932 -6.339 1.00 0.00 C ATOM 269 O SER A 19 17.797 -2.364 -7.460 1.00 0.00 O ATOM 270 CB SER A 19 15.110 -2.459 -6.775 1.00 0.00 C ATOM 271 OG SER A 19 15.800 -3.419 -7.557 1.00 0.00 O ATOM 0 H SER A 19 15.071 0.005 -6.821 1.00 0.00 H new ATOM 0 HA SER A 19 15.949 -1.852 -4.897 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.410 -2.964 -6.109 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.521 -1.812 -7.425 1.00 0.00 H new ATOM 0 HG SER A 19 16.430 -2.963 -8.153 1.00 0.00 H new ATOM 277 N GLN A 20 18.440 -1.712 -5.405 1.00 0.00 N ATOM 278 CA GLN A 20 19.855 -1.972 -5.644 1.00 0.00 C ATOM 279 C GLN A 20 20.332 -3.161 -4.816 1.00 0.00 C ATOM 280 O GLN A 20 19.659 -3.585 -3.877 1.00 0.00 O ATOM 281 CB GLN A 20 20.682 -0.727 -5.303 1.00 0.00 C ATOM 282 CG GLN A 20 19.980 0.580 -5.636 1.00 0.00 C ATOM 283 CD GLN A 20 20.061 1.592 -4.509 1.00 0.00 C ATOM 284 OE1 GLN A 20 20.254 1.232 -3.348 1.00 0.00 O ATOM 285 NE2 GLN A 20 19.912 2.869 -4.846 1.00 0.00 N ATOM 0 H GLN A 20 18.229 -1.354 -4.474 1.00 0.00 H new ATOM 0 HA GLN A 20 19.989 -2.211 -6.699 1.00 0.00 H new ATOM 0 HB2 GLN A 20 20.922 -0.740 -4.240 1.00 0.00 H new ATOM 0 HB3 GLN A 20 21.628 -0.770 -5.844 1.00 0.00 H new ATOM 0 HG2 GLN A 20 20.424 1.007 -6.535 1.00 0.00 H new ATOM 0 HG3 GLN A 20 18.933 0.378 -5.863 1.00 0.00 H new ATOM 0 HE21 GLN A 20 19.754 3.124 -5.821 1.00 0.00 H new ATOM 0 HE22 GLN A 20 19.956 3.594 -4.130 1.00 0.00 H new ATOM 294 N PRO A 21 21.508 -3.716 -5.154 1.00 0.00 N ATOM 295 CA PRO A 21 22.078 -4.860 -4.433 1.00 0.00 C ATOM 296 C PRO A 21 22.353 -4.521 -2.975 1.00 0.00 C ATOM 297 O PRO A 21 23.495 -4.557 -2.518 1.00 0.00 O ATOM 298 CB PRO A 21 23.383 -5.151 -5.184 1.00 0.00 C ATOM 299 CG PRO A 21 23.699 -3.889 -5.911 1.00 0.00 C ATOM 300 CD PRO A 21 22.374 -3.273 -6.255 1.00 0.00 C ATOM 0 HA PRO A 21 21.402 -5.714 -4.409 1.00 0.00 H new ATOM 0 HB2 PRO A 21 24.183 -5.421 -4.495 1.00 0.00 H new ATOM 0 HB3 PRO A 21 23.263 -5.985 -5.875 1.00 0.00 H new ATOM 0 HG2 PRO A 21 24.293 -3.218 -5.290 1.00 0.00 H new ATOM 0 HG3 PRO A 21 24.282 -4.091 -6.810 1.00 0.00 H new ATOM 0 HD2 PRO A 21 22.436 -2.186 -6.308 1.00 0.00 H new ATOM 0 HD3 PRO A 21 22.007 -3.619 -7.221 1.00 0.00 H new ATOM 308 N GLY A 22 21.292 -4.181 -2.253 1.00 0.00 N ATOM 309 CA GLY A 22 21.424 -3.827 -0.855 1.00 0.00 C ATOM 310 C GLY A 22 20.274 -2.975 -0.363 1.00 0.00 C ATOM 311 O GLY A 22 20.082 -2.818 0.843 1.00 0.00 O ATOM 0 H GLY A 22 20.339 -4.145 -2.614 1.00 0.00 H new ATOM 0 HA2 GLY A 22 21.480 -4.736 -0.257 1.00 0.00 H new ATOM 0 HA3 GLY A 22 22.360 -3.289 -0.706 1.00 0.00 H new ATOM 315 N ALA A 23 19.506 -2.417 -1.295 1.00 0.00 N ATOM 316 CA ALA A 23 18.376 -1.574 -0.934 1.00 0.00 C ATOM 317 C ALA A 23 17.260 -1.669 -1.953 1.00 0.00 C ATOM 318 O ALA A 23 17.345 -1.143 -3.060 1.00 0.00 O ATOM 319 CB ALA A 23 18.834 -0.138 -0.758 1.00 0.00 C ATOM 0 H ALA A 23 19.646 -2.534 -2.299 1.00 0.00 H new ATOM 0 HA ALA A 23 17.974 -1.932 0.014 1.00 0.00 H new ATOM 0 HB1 ALA A 23 17.982 0.485 -0.488 1.00 0.00 H new ATOM 0 HB2 ALA A 23 19.584 -0.089 0.032 1.00 0.00 H new ATOM 0 HB3 ALA A 23 19.266 0.223 -1.691 1.00 0.00 H new ATOM 325 N PRO A 24 16.210 -2.388 -1.569 1.00 0.00 N ATOM 326 CA PRO A 24 15.046 -2.644 -2.383 1.00 0.00 C ATOM 327 C PRO A 24 13.829 -1.839 -1.964 1.00 0.00 C ATOM 328 O PRO A 24 12.839 -2.395 -1.491 1.00 0.00 O ATOM 329 CB PRO A 24 14.842 -4.125 -2.090 1.00 0.00 C ATOM 330 CG PRO A 24 15.313 -4.313 -0.670 1.00 0.00 C ATOM 331 CD PRO A 24 16.084 -3.076 -0.292 1.00 0.00 C ATOM 0 HA PRO A 24 15.177 -2.375 -3.431 1.00 0.00 H new ATOM 0 HB2 PRO A 24 13.795 -4.408 -2.199 1.00 0.00 H new ATOM 0 HB3 PRO A 24 15.413 -4.746 -2.780 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.466 -4.459 0.001 1.00 0.00 H new ATOM 0 HG3 PRO A 24 15.942 -5.199 -0.587 1.00 0.00 H new ATOM 0 HD2 PRO A 24 15.551 -2.474 0.444 1.00 0.00 H new ATOM 0 HD3 PRO A 24 17.056 -3.318 0.138 1.00 0.00 H new ATOM 339 N ILE A 25 13.914 -0.532 -2.153 1.00 0.00 N ATOM 340 CA ILE A 25 12.845 0.372 -1.823 1.00 0.00 C ATOM 341 C ILE A 25 11.479 -0.164 -2.218 1.00 0.00 C ATOM 342 O ILE A 25 11.339 -1.334 -2.569 1.00 0.00 O ATOM 343 CB ILE A 25 13.120 1.707 -2.488 1.00 0.00 C ATOM 344 CG1 ILE A 25 14.329 2.304 -1.832 1.00 0.00 C ATOM 345 CG2 ILE A 25 11.956 2.650 -2.309 1.00 0.00 C ATOM 346 CD1 ILE A 25 14.093 2.473 -0.360 1.00 0.00 C ATOM 0 H ILE A 25 14.737 -0.074 -2.543 1.00 0.00 H new ATOM 0 HA ILE A 25 12.815 0.490 -0.740 1.00 0.00 H new ATOM 0 HB ILE A 25 13.277 1.554 -3.556 1.00 0.00 H new ATOM 0 HG12 ILE A 25 15.195 1.663 -1.997 1.00 0.00 H new ATOM 0 HG13 ILE A 25 14.557 3.269 -2.284 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.179 3.600 -2.795 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.063 2.214 -2.756 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.784 2.818 -1.246 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.979 2.907 0.103 1.00 0.00 H new ATOM 0 HD12 ILE A 25 13.240 3.133 -0.202 1.00 0.00 H new ATOM 0 HD13 ILE A 25 13.888 1.501 0.090 1.00 0.00 H new ATOM 358 N LEU A 26 10.455 0.668 -2.070 1.00 0.00 N ATOM 359 CA LEU A 26 9.102 0.228 -2.317 1.00 0.00 C ATOM 360 C LEU A 26 8.156 1.309 -2.771 1.00 0.00 C ATOM 361 O LEU A 26 8.542 2.345 -3.298 1.00 0.00 O ATOM 362 CB LEU A 26 8.611 -0.305 -1.001 1.00 0.00 C ATOM 363 CG LEU A 26 9.701 -0.303 0.048 1.00 0.00 C ATOM 364 CD1 LEU A 26 9.142 0.095 1.396 1.00 0.00 C ATOM 365 CD2 LEU A 26 10.387 -1.656 0.123 1.00 0.00 C ATOM 0 H LEU A 26 10.542 1.643 -1.782 1.00 0.00 H new ATOM 0 HA LEU A 26 9.121 -0.499 -3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.772 0.299 -0.655 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.239 -1.320 -1.136 1.00 0.00 H new ATOM 0 HG LEU A 26 10.450 0.434 -0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.941 0.090 2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.713 1.095 1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.368 -0.613 1.693 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.166 -1.627 0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.655 -2.421 0.381 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.833 -1.892 -0.843 1.00 0.00 H new ATOM 377 N GLN A 27 6.893 1.014 -2.542 1.00 0.00 N ATOM 378 CA GLN A 27 5.805 1.916 -2.891 1.00 0.00 C ATOM 379 C GLN A 27 4.446 1.226 -2.758 1.00 0.00 C ATOM 380 O GLN A 27 3.746 1.018 -3.751 1.00 0.00 O ATOM 381 CB GLN A 27 5.999 2.445 -4.313 1.00 0.00 C ATOM 382 CG GLN A 27 4.744 3.062 -4.911 1.00 0.00 C ATOM 383 CD GLN A 27 5.056 4.125 -5.945 1.00 0.00 C ATOM 384 OE1 GLN A 27 4.458 5.200 -5.947 1.00 0.00 O ATOM 385 NE2 GLN A 27 6.000 3.827 -6.831 1.00 0.00 N ATOM 0 H GLN A 27 6.587 0.143 -2.109 1.00 0.00 H new ATOM 0 HA GLN A 27 5.821 2.754 -2.194 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.794 3.191 -4.309 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.332 1.628 -4.953 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.141 2.279 -5.371 1.00 0.00 H new ATOM 0 HG3 GLN A 27 4.143 3.500 -4.114 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.470 2.922 -6.791 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.255 4.503 -7.551 1.00 0.00 H new ATOM 394 N CYS A 28 4.076 0.877 -1.520 1.00 0.00 N ATOM 395 CA CYS A 28 2.795 0.217 -1.246 1.00 0.00 C ATOM 396 C CYS A 28 1.786 0.521 -2.347 1.00 0.00 C ATOM 397 O CYS A 28 1.172 1.587 -2.358 1.00 0.00 O ATOM 398 CB CYS A 28 2.225 0.665 0.104 1.00 0.00 C ATOM 399 SG CYS A 28 0.834 -0.353 0.701 1.00 0.00 S ATOM 0 H CYS A 28 4.647 1.041 -0.691 1.00 0.00 H new ATOM 0 HA CYS A 28 2.978 -0.857 -1.214 1.00 0.00 H new ATOM 0 HB2 CYS A 28 3.022 0.644 0.848 1.00 0.00 H new ATOM 0 HB3 CYS A 28 1.894 1.700 0.021 1.00 0.00 H new ATOM 404 N MET A 29 1.622 -0.414 -3.276 1.00 0.00 N ATOM 405 CA MET A 29 0.689 -0.229 -4.381 1.00 0.00 C ATOM 406 C MET A 29 -0.111 -1.500 -4.641 1.00 0.00 C ATOM 407 O MET A 29 0.402 -2.608 -4.488 1.00 0.00 O ATOM 408 CB MET A 29 1.446 0.178 -5.645 1.00 0.00 C ATOM 409 CG MET A 29 1.193 1.615 -6.069 1.00 0.00 C ATOM 410 SD MET A 29 -0.145 1.758 -7.268 1.00 0.00 S ATOM 411 CE MET A 29 0.392 0.589 -8.515 1.00 0.00 C ATOM 0 H MET A 29 2.120 -1.304 -3.286 1.00 0.00 H new ATOM 0 HA MET A 29 -0.007 0.564 -4.108 1.00 0.00 H new ATOM 0 HB2 MET A 29 2.514 0.040 -5.479 1.00 0.00 H new ATOM 0 HB3 MET A 29 1.161 -0.488 -6.459 1.00 0.00 H new ATOM 0 HG2 MET A 29 0.953 2.213 -5.190 1.00 0.00 H new ATOM 0 HG3 MET A 29 2.106 2.030 -6.497 1.00 0.00 H new ATOM 0 HE1 MET A 29 0.126 0.963 -9.503 1.00 0.00 H new ATOM 0 HE2 MET A 29 1.473 0.463 -8.454 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.096 -0.371 -8.347 1.00 0.00 H new ATOM 421 N GLY A 30 -1.367 -1.332 -5.039 1.00 0.00 N ATOM 422 CA GLY A 30 -2.216 -2.476 -5.317 1.00 0.00 C ATOM 423 C GLY A 30 -3.688 -2.116 -5.340 1.00 0.00 C ATOM 424 O GLY A 30 -4.099 -1.198 -6.051 1.00 0.00 O ATOM 0 H GLY A 30 -1.813 -0.425 -5.174 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -1.936 -2.907 -6.278 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -2.045 -3.243 -4.562 1.00 0.00 H new ATOM 428 N CYS A 31 -4.484 -2.842 -4.563 1.00 0.00 N ATOM 429 CA CYS A 31 -5.920 -2.597 -4.499 1.00 0.00 C ATOM 430 C CYS A 31 -6.490 -3.071 -3.165 1.00 0.00 C ATOM 431 O CYS A 31 -6.186 -4.170 -2.703 1.00 0.00 O ATOM 432 CB CYS A 31 -6.623 -3.305 -5.658 1.00 0.00 C ATOM 433 SG CYS A 31 -5.530 -3.667 -7.071 1.00 0.00 S ATOM 0 H CYS A 31 -4.159 -3.605 -3.969 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.093 -1.524 -4.581 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.052 -4.239 -5.294 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.452 -2.685 -6.001 1.00 0.00 H new ATOM 438 N CYS A 32 -7.309 -2.227 -2.545 1.00 0.00 N ATOM 439 CA CYS A 32 -7.911 -2.550 -1.257 1.00 0.00 C ATOM 440 C CYS A 32 -8.987 -3.623 -1.394 1.00 0.00 C ATOM 441 O CYS A 32 -10.071 -3.369 -1.920 1.00 0.00 O ATOM 442 CB CYS A 32 -8.509 -1.293 -0.624 1.00 0.00 C ATOM 443 SG CYS A 32 -7.265 -0.079 -0.076 1.00 0.00 S ATOM 0 H CYS A 32 -7.571 -1.313 -2.915 1.00 0.00 H new ATOM 0 HA CYS A 32 -7.124 -2.942 -0.613 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -9.174 -0.817 -1.344 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -9.120 -1.584 0.231 1.00 0.00 H new ATOM 448 N PHE A 33 -8.679 -4.820 -0.902 1.00 0.00 N ATOM 449 CA PHE A 33 -9.616 -5.941 -0.953 1.00 0.00 C ATOM 450 C PHE A 33 -8.965 -7.233 -0.457 1.00 0.00 C ATOM 451 O PHE A 33 -9.542 -8.314 -0.581 1.00 0.00 O ATOM 452 CB PHE A 33 -10.147 -6.137 -2.374 1.00 0.00 C ATOM 453 CG PHE A 33 -9.158 -6.772 -3.310 1.00 0.00 C ATOM 454 CD1 PHE A 33 -7.817 -6.855 -2.972 1.00 0.00 C ATOM 455 CD2 PHE A 33 -9.570 -7.284 -4.529 1.00 0.00 C ATOM 456 CE1 PHE A 33 -6.906 -7.438 -3.832 1.00 0.00 C ATOM 457 CE2 PHE A 33 -8.664 -7.868 -5.394 1.00 0.00 C ATOM 458 CZ PHE A 33 -7.330 -7.943 -5.045 1.00 0.00 C ATOM 0 H PHE A 33 -7.785 -5.040 -0.462 1.00 0.00 H new ATOM 0 HA PHE A 33 -10.450 -5.702 -0.293 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -11.044 -6.755 -2.334 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -10.445 -5.169 -2.777 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -7.480 -6.459 -2.025 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -10.612 -7.226 -4.807 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.864 -7.499 -3.556 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.999 -8.265 -6.341 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.619 -8.396 -5.720 1.00 0.00 H new ATOM 468 N SER A 34 -7.765 -7.118 0.104 1.00 0.00 N ATOM 469 CA SER A 34 -7.050 -8.281 0.614 1.00 0.00 C ATOM 470 C SER A 34 -7.978 -9.169 1.436 1.00 0.00 C ATOM 471 O SER A 34 -8.607 -8.712 2.390 1.00 0.00 O ATOM 472 CB SER A 34 -5.856 -7.840 1.463 1.00 0.00 C ATOM 473 OG SER A 34 -5.825 -8.529 2.700 1.00 0.00 O ATOM 0 H SER A 34 -7.269 -6.234 0.216 1.00 0.00 H new ATOM 0 HA SER A 34 -6.686 -8.857 -0.237 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.931 -8.025 0.918 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.911 -6.766 1.643 1.00 0.00 H new ATOM 0 HG SER A 34 -5.052 -8.229 3.222 1.00 0.00 H new ATOM 479 N ARG A 35 -8.065 -10.439 1.056 1.00 0.00 N ATOM 480 CA ARG A 35 -8.923 -11.390 1.754 1.00 0.00 C ATOM 481 C ARG A 35 -10.372 -10.915 1.747 1.00 0.00 C ATOM 482 O ARG A 35 -10.644 -9.716 1.696 1.00 0.00 O ATOM 483 CB ARG A 35 -8.447 -11.582 3.197 1.00 0.00 C ATOM 484 CG ARG A 35 -7.088 -12.255 3.314 1.00 0.00 C ATOM 485 CD ARG A 35 -6.901 -13.339 2.264 1.00 0.00 C ATOM 486 NE ARG A 35 -6.332 -14.558 2.832 1.00 0.00 N ATOM 487 CZ ARG A 35 -7.064 -15.576 3.275 1.00 0.00 C ATOM 488 NH1 ARG A 35 -8.389 -15.516 3.220 1.00 0.00 N ATOM 489 NH2 ARG A 35 -6.472 -16.652 3.775 1.00 0.00 N ATOM 0 H ARG A 35 -7.552 -10.834 0.268 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.865 -12.345 1.231 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.403 -10.609 3.687 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -9.184 -12.177 3.736 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.302 -11.507 3.208 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -6.982 -12.690 4.308 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.862 -13.568 1.804 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -6.249 -12.969 1.473 1.00 0.00 H new ATOM 0 HE ARG A 35 -5.317 -14.633 2.892 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.847 -14.688 2.838 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.949 -16.297 3.560 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.454 -16.699 3.820 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -7.035 -17.432 4.115 1.00 0.00 H new ATOM 503 N ALA A 36 -11.300 -11.865 1.801 1.00 0.00 N ATOM 504 CA ALA A 36 -12.721 -11.544 1.804 1.00 0.00 C ATOM 505 C ALA A 36 -13.031 -10.409 0.836 1.00 0.00 C ATOM 506 O ALA A 36 -12.893 -9.235 1.178 1.00 0.00 O ATOM 507 CB ALA A 36 -13.175 -11.174 3.208 1.00 0.00 C ATOM 0 H ALA A 36 -11.093 -12.863 1.843 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.266 -12.429 1.475 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -14.239 -10.936 3.196 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -12.998 -12.013 3.881 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -12.614 -10.307 3.555 1.00 0.00 H new ATOM 513 N TYR A 37 -13.457 -10.761 -0.373 1.00 0.00 N ATOM 514 CA TYR A 37 -13.790 -9.763 -1.379 1.00 0.00 C ATOM 515 C TYR A 37 -15.220 -9.269 -1.193 1.00 0.00 C ATOM 516 O TYR A 37 -16.169 -10.051 -1.230 1.00 0.00 O ATOM 517 CB TYR A 37 -13.612 -10.333 -2.787 1.00 0.00 C ATOM 518 CG TYR A 37 -14.028 -11.781 -2.918 1.00 0.00 C ATOM 519 CD1 TYR A 37 -15.366 -12.132 -3.046 1.00 0.00 C ATOM 520 CD2 TYR A 37 -13.080 -12.796 -2.919 1.00 0.00 C ATOM 521 CE1 TYR A 37 -15.748 -13.454 -3.172 1.00 0.00 C ATOM 522 CE2 TYR A 37 -13.453 -14.119 -3.045 1.00 0.00 C ATOM 523 CZ TYR A 37 -14.787 -14.444 -3.171 1.00 0.00 C ATOM 524 OH TYR A 37 -15.163 -15.761 -3.298 1.00 0.00 O ATOM 0 H TYR A 37 -13.579 -11.727 -0.678 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.110 -8.920 -1.256 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -14.193 -9.733 -3.487 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -12.566 -10.238 -3.078 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -16.120 -11.359 -3.047 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -12.034 -12.546 -2.820 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -16.792 -13.711 -3.271 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -12.703 -14.896 -3.045 1.00 0.00 H new ATOM 0 HH TYR A 37 -14.367 -16.332 -3.280 1.00 0.00 H new ATOM 534 N PRO A 38 -15.388 -7.957 -0.989 1.00 0.00 N ATOM 535 CA PRO A 38 -16.703 -7.348 -0.793 1.00 0.00 C ATOM 536 C PRO A 38 -17.708 -7.802 -1.844 1.00 0.00 C ATOM 537 O PRO A 38 -17.389 -8.615 -2.710 1.00 0.00 O ATOM 538 CB PRO A 38 -16.423 -5.851 -0.927 1.00 0.00 C ATOM 539 CG PRO A 38 -14.998 -5.696 -0.520 1.00 0.00 C ATOM 540 CD PRO A 38 -14.301 -6.964 -0.935 1.00 0.00 C ATOM 0 HA PRO A 38 -17.146 -7.626 0.163 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -16.583 -5.508 -1.949 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -17.084 -5.266 -0.288 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.548 -4.829 -1.003 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -14.915 -5.541 0.556 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -13.811 -6.854 -1.902 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.531 -7.251 -0.219 1.00 0.00 H new ATOM 548 N THR A 39 -18.924 -7.272 -1.762 1.00 0.00 N ATOM 549 CA THR A 39 -19.976 -7.625 -2.707 1.00 0.00 C ATOM 550 C THR A 39 -20.200 -6.501 -3.713 1.00 0.00 C ATOM 551 O THR A 39 -21.125 -5.701 -3.572 1.00 0.00 O ATOM 552 CB THR A 39 -21.276 -7.929 -1.963 1.00 0.00 C ATOM 553 OG1 THR A 39 -21.552 -6.921 -1.007 1.00 0.00 O ATOM 554 CG2 THR A 39 -21.254 -9.256 -1.237 1.00 0.00 C ATOM 0 H THR A 39 -19.205 -6.597 -1.051 1.00 0.00 H new ATOM 0 HA THR A 39 -19.661 -8.516 -3.250 1.00 0.00 H new ATOM 0 HB THR A 39 -22.048 -7.967 -2.732 1.00 0.00 H new ATOM 0 HG1 THR A 39 -21.531 -6.043 -1.442 1.00 0.00 H new ATOM 0 HG21 THR A 39 -22.207 -9.409 -0.730 1.00 0.00 H new ATOM 0 HG22 THR A 39 -21.091 -10.060 -1.954 1.00 0.00 H new ATOM 0 HG23 THR A 39 -20.448 -9.256 -0.503 1.00 0.00 H new ATOM 562 N PRO A 40 -19.345 -6.428 -4.745 1.00 0.00 N ATOM 563 CA PRO A 40 -19.438 -5.403 -5.779 1.00 0.00 C ATOM 564 C PRO A 40 -20.881 -5.122 -6.192 1.00 0.00 C ATOM 565 O PRO A 40 -21.442 -4.083 -5.845 1.00 0.00 O ATOM 566 CB PRO A 40 -18.656 -6.001 -6.946 1.00 0.00 C ATOM 567 CG PRO A 40 -17.700 -6.981 -6.342 1.00 0.00 C ATOM 568 CD PRO A 40 -18.219 -7.346 -4.971 1.00 0.00 C ATOM 0 HA PRO A 40 -19.049 -4.444 -5.436 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -19.325 -6.493 -7.653 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -18.124 -5.226 -7.497 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -17.617 -7.869 -6.968 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -16.703 -6.547 -6.270 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -18.542 -8.386 -4.933 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -17.449 -7.224 -4.210 1.00 0.00 H new ATOM 576 N LEU A 41 -21.474 -6.054 -6.936 1.00 0.00 N ATOM 577 CA LEU A 41 -22.850 -5.905 -7.399 1.00 0.00 C ATOM 578 C LEU A 41 -23.189 -4.439 -7.647 1.00 0.00 C ATOM 579 O LEU A 41 -24.163 -3.916 -7.106 1.00 0.00 O ATOM 580 CB LEU A 41 -23.823 -6.495 -6.377 1.00 0.00 C ATOM 581 CG LEU A 41 -23.199 -7.460 -5.367 1.00 0.00 C ATOM 582 CD1 LEU A 41 -24.069 -7.566 -4.125 1.00 0.00 C ATOM 583 CD2 LEU A 41 -22.994 -8.831 -5.996 1.00 0.00 C ATOM 0 H LEU A 41 -21.022 -6.920 -7.230 1.00 0.00 H new ATOM 0 HA LEU A 41 -22.946 -6.447 -8.340 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -24.293 -5.677 -5.831 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -24.616 -7.017 -6.913 1.00 0.00 H new ATOM 0 HG LEU A 41 -22.225 -7.069 -5.072 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -23.610 -8.256 -3.417 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -24.165 -6.583 -3.663 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -25.057 -7.934 -4.403 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -22.549 -9.505 -5.263 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -23.955 -9.230 -6.320 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -22.330 -8.741 -6.856 1.00 0.00 H new ATOM 595 N ARG A 42 -22.377 -3.779 -8.467 1.00 0.00 N ATOM 596 CA ARG A 42 -22.590 -2.371 -8.783 1.00 0.00 C ATOM 597 C ARG A 42 -22.224 -1.490 -7.593 1.00 0.00 C ATOM 598 O ARG A 42 -22.694 -1.712 -6.477 1.00 0.00 O ATOM 599 CB ARG A 42 -24.048 -2.130 -9.181 1.00 0.00 C ATOM 600 CG ARG A 42 -24.244 -0.916 -10.077 1.00 0.00 C ATOM 601 CD ARG A 42 -25.024 -1.273 -11.332 1.00 0.00 C ATOM 602 NE ARG A 42 -25.366 -0.092 -12.122 1.00 0.00 N ATOM 603 CZ ARG A 42 -26.500 0.036 -12.807 1.00 0.00 C ATOM 604 NH1 ARG A 42 -27.388 -0.948 -12.816 1.00 0.00 N ATOM 605 NH2 ARG A 42 -26.739 1.144 -13.495 1.00 0.00 N ATOM 0 H ARG A 42 -21.566 -4.196 -8.924 1.00 0.00 H new ATOM 0 HA ARG A 42 -21.945 -2.109 -9.622 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -24.426 -3.014 -9.694 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -24.646 -2.005 -8.278 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -24.773 -0.138 -9.527 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -23.273 -0.506 -10.355 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -24.435 -1.958 -11.942 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -25.937 -1.799 -11.053 1.00 0.00 H new ATOM 0 HE ARG A 42 -24.698 0.678 -12.150 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -27.203 -1.806 -12.297 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -28.256 -0.847 -13.342 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -26.053 1.899 -13.500 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -27.608 1.241 -14.020 1.00 0.00 H new ATOM 619 N SER A 43 -21.379 -0.492 -7.838 1.00 0.00 N ATOM 620 CA SER A 43 -20.949 0.420 -6.784 1.00 0.00 C ATOM 621 C SER A 43 -19.718 -0.128 -6.067 1.00 0.00 C ATOM 622 O SER A 43 -19.650 -1.316 -5.749 1.00 0.00 O ATOM 623 CB SER A 43 -22.088 0.650 -5.787 1.00 0.00 C ATOM 624 OG SER A 43 -21.913 1.865 -5.080 1.00 0.00 O ATOM 0 H SER A 43 -20.980 -0.295 -8.756 1.00 0.00 H new ATOM 0 HA SER A 43 -20.683 1.374 -7.240 1.00 0.00 H new ATOM 0 HB2 SER A 43 -23.040 0.669 -6.317 1.00 0.00 H new ATOM 0 HB3 SER A 43 -22.131 -0.181 -5.083 1.00 0.00 H new ATOM 0 HG SER A 43 -22.655 1.988 -4.452 1.00 0.00 H new ATOM 630 N LYS A 44 -18.741 0.741 -5.824 1.00 0.00 N ATOM 631 CA LYS A 44 -17.509 0.336 -5.155 1.00 0.00 C ATOM 632 C LYS A 44 -17.504 0.766 -3.693 1.00 0.00 C ATOM 633 O LYS A 44 -16.523 1.326 -3.205 1.00 0.00 O ATOM 634 CB LYS A 44 -16.296 0.930 -5.871 1.00 0.00 C ATOM 635 CG LYS A 44 -16.259 0.624 -7.358 1.00 0.00 C ATOM 636 CD LYS A 44 -15.604 1.751 -8.139 1.00 0.00 C ATOM 637 CE LYS A 44 -14.204 2.041 -7.627 1.00 0.00 C ATOM 638 NZ LYS A 44 -13.368 2.729 -8.650 1.00 0.00 N ATOM 0 H LYS A 44 -18.778 1.728 -6.080 1.00 0.00 H new ATOM 0 HA LYS A 44 -17.455 -0.752 -5.192 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.295 2.011 -5.731 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -15.387 0.547 -5.407 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.712 -0.304 -7.527 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -17.274 0.467 -7.724 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.559 1.485 -9.195 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.214 2.651 -8.063 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.266 2.661 -6.733 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -13.724 1.107 -7.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.421 2.909 -8.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.287 2.127 -9.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.812 3.633 -8.911 1.00 0.00 H new ATOM 652 N LYS A 45 -18.601 0.497 -2.998 1.00 0.00 N ATOM 653 CA LYS A 45 -18.715 0.853 -1.590 1.00 0.00 C ATOM 654 C LYS A 45 -17.522 0.324 -0.804 1.00 0.00 C ATOM 655 O LYS A 45 -16.913 -0.678 -1.183 1.00 0.00 O ATOM 656 CB LYS A 45 -20.013 0.293 -1.008 1.00 0.00 C ATOM 657 CG LYS A 45 -20.490 -0.975 -1.699 1.00 0.00 C ATOM 658 CD LYS A 45 -21.040 -1.980 -0.704 1.00 0.00 C ATOM 659 CE LYS A 45 -20.197 -3.245 -0.672 1.00 0.00 C ATOM 660 NZ LYS A 45 -19.218 -3.235 0.449 1.00 0.00 N ATOM 0 H LYS A 45 -19.423 0.034 -3.385 1.00 0.00 H new ATOM 0 HA LYS A 45 -18.729 1.940 -1.511 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -19.867 0.087 0.052 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -20.792 1.052 -1.081 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -21.261 -0.725 -2.428 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -19.663 -1.423 -2.250 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -21.067 -1.533 0.290 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -22.067 -2.232 -0.968 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -20.849 -4.113 -0.576 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -19.665 -3.350 -1.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.687 -4.129 0.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.557 -2.441 0.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -19.724 -3.127 1.351 1.00 0.00 H new ATOM 674 N THR A 46 -17.191 0.998 0.291 1.00 0.00 N ATOM 675 CA THR A 46 -16.069 0.590 1.129 1.00 0.00 C ATOM 676 C THR A 46 -16.159 -0.896 1.466 1.00 0.00 C ATOM 677 O THR A 46 -17.250 -1.462 1.533 1.00 0.00 O ATOM 678 CB THR A 46 -16.041 1.416 2.414 1.00 0.00 C ATOM 679 OG1 THR A 46 -16.990 2.465 2.357 1.00 0.00 O ATOM 680 CG2 THR A 46 -14.690 2.035 2.700 1.00 0.00 C ATOM 0 H THR A 46 -17.683 1.829 0.620 1.00 0.00 H new ATOM 0 HA THR A 46 -15.147 0.764 0.574 1.00 0.00 H new ATOM 0 HB THR A 46 -16.276 0.713 3.213 1.00 0.00 H new ATOM 0 HG1 THR A 46 -17.015 2.930 3.219 1.00 0.00 H new ATOM 0 HG21 THR A 46 -14.741 2.607 3.626 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.943 1.248 2.801 1.00 0.00 H new ATOM 0 HG23 THR A 46 -14.412 2.696 1.880 1.00 0.00 H new ATOM 688 N MET A 47 -15.005 -1.522 1.676 1.00 0.00 N ATOM 689 CA MET A 47 -14.954 -2.942 2.005 1.00 0.00 C ATOM 690 C MET A 47 -15.652 -3.226 3.334 1.00 0.00 C ATOM 691 O MET A 47 -16.825 -3.598 3.361 1.00 0.00 O ATOM 692 CB MET A 47 -13.503 -3.418 2.062 1.00 0.00 C ATOM 693 CG MET A 47 -12.535 -2.365 2.577 1.00 0.00 C ATOM 694 SD MET A 47 -11.492 -1.683 1.274 1.00 0.00 S ATOM 695 CE MET A 47 -10.593 -0.428 2.180 1.00 0.00 C ATOM 0 H MET A 47 -14.093 -1.068 1.624 1.00 0.00 H new ATOM 0 HA MET A 47 -15.480 -3.489 1.222 1.00 0.00 H new ATOM 0 HB2 MET A 47 -13.443 -4.298 2.702 1.00 0.00 H new ATOM 0 HB3 MET A 47 -13.192 -3.728 1.064 1.00 0.00 H new ATOM 0 HG2 MET A 47 -13.098 -1.558 3.046 1.00 0.00 H new ATOM 0 HG3 MET A 47 -11.904 -2.804 3.350 1.00 0.00 H new ATOM 0 HE1 MET A 47 -9.998 0.165 1.486 1.00 0.00 H new ATOM 0 HE2 MET A 47 -11.298 0.221 2.700 1.00 0.00 H new ATOM 0 HE3 MET A 47 -9.935 -0.905 2.907 1.00 0.00 H new ATOM 705 N LEU A 48 -14.926 -3.052 4.437 1.00 0.00 N ATOM 706 CA LEU A 48 -15.487 -3.297 5.766 1.00 0.00 C ATOM 707 C LEU A 48 -16.718 -2.425 6.006 1.00 0.00 C ATOM 708 O LEU A 48 -17.128 -1.658 5.134 1.00 0.00 O ATOM 709 CB LEU A 48 -14.454 -3.047 6.876 1.00 0.00 C ATOM 710 CG LEU A 48 -13.060 -2.594 6.424 1.00 0.00 C ATOM 711 CD1 LEU A 48 -12.782 -1.174 6.895 1.00 0.00 C ATOM 712 CD2 LEU A 48 -11.996 -3.544 6.951 1.00 0.00 C ATOM 0 H LEU A 48 -13.954 -2.744 4.438 1.00 0.00 H new ATOM 0 HA LEU A 48 -15.778 -4.347 5.800 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -14.856 -2.292 7.552 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -14.344 -3.965 7.453 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.030 -2.609 5.335 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -11.789 -0.869 6.565 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -13.527 -0.499 6.474 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -12.831 -1.136 7.983 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.013 -3.208 6.621 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -12.028 -3.558 8.040 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.183 -4.548 6.570 1.00 0.00 H new ATOM 724 N VAL A 49 -17.306 -2.551 7.195 1.00 0.00 N ATOM 725 CA VAL A 49 -18.493 -1.777 7.549 1.00 0.00 C ATOM 726 C VAL A 49 -18.113 -0.491 8.271 1.00 0.00 C ATOM 727 O VAL A 49 -17.325 -0.506 9.218 1.00 0.00 O ATOM 728 CB VAL A 49 -19.457 -2.590 8.435 1.00 0.00 C ATOM 729 CG1 VAL A 49 -18.689 -3.346 9.507 1.00 0.00 C ATOM 730 CG2 VAL A 49 -20.508 -1.685 9.065 1.00 0.00 C ATOM 0 H VAL A 49 -16.980 -3.181 7.928 1.00 0.00 H new ATOM 0 HA VAL A 49 -18.999 -1.530 6.615 1.00 0.00 H new ATOM 0 HB VAL A 49 -19.969 -3.315 7.803 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -19.387 -3.914 10.122 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -17.982 -4.029 9.035 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -18.146 -2.638 10.133 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -21.177 -2.281 9.686 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -20.017 -0.931 9.681 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -21.083 -1.194 8.280 1.00 0.00 H new ATOM 740 N GLN A 50 -18.678 0.620 7.813 1.00 0.00 N ATOM 741 CA GLN A 50 -18.402 1.923 8.405 1.00 0.00 C ATOM 742 C GLN A 50 -19.143 3.025 7.651 1.00 0.00 C ATOM 743 O GLN A 50 -18.559 4.048 7.294 1.00 0.00 O ATOM 744 CB GLN A 50 -16.895 2.196 8.397 1.00 0.00 C ATOM 745 CG GLN A 50 -16.141 1.430 7.320 1.00 0.00 C ATOM 746 CD GLN A 50 -15.318 2.336 6.424 1.00 0.00 C ATOM 747 OE1 GLN A 50 -15.840 2.626 5.236 1.00 0.00 O flip ATOM 748 NE2 GLN A 50 -14.226 2.768 6.793 1.00 0.00 N flip ATOM 0 H GLN A 50 -19.332 0.644 7.031 1.00 0.00 H new ATOM 0 HA GLN A 50 -18.755 1.916 9.436 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -16.729 3.264 8.255 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -16.482 1.936 9.372 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -15.484 0.699 7.792 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -16.853 0.873 6.711 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -13.864 2.519 7.714 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -13.683 3.375 6.178 1.00 0.00 H new ATOM 757 N LYS A 51 -20.433 2.801 7.412 1.00 0.00 N ATOM 758 CA LYS A 51 -21.269 3.763 6.700 1.00 0.00 C ATOM 759 C LYS A 51 -20.457 4.555 5.679 1.00 0.00 C ATOM 760 O LYS A 51 -19.839 5.566 6.012 1.00 0.00 O ATOM 761 CB LYS A 51 -21.945 4.723 7.684 1.00 0.00 C ATOM 762 CG LYS A 51 -21.190 4.890 8.993 1.00 0.00 C ATOM 763 CD LYS A 51 -22.138 5.098 10.165 1.00 0.00 C ATOM 764 CE LYS A 51 -23.352 5.922 9.767 1.00 0.00 C ATOM 765 NZ LYS A 51 -24.583 5.089 9.689 1.00 0.00 N ATOM 0 H LYS A 51 -20.924 1.956 7.703 1.00 0.00 H new ATOM 0 HA LYS A 51 -22.036 3.201 6.167 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -22.052 5.699 7.210 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -22.950 4.361 7.899 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -20.575 4.008 9.174 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -20.513 5.741 8.917 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -22.464 4.130 10.545 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -21.609 5.598 10.977 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -23.501 6.724 10.491 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -23.170 6.394 8.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -25.166 5.405 8.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -24.320 4.092 9.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -25.125 5.188 10.571 1.00 0.00 H new ATOM 779 N ASN A 52 -20.467 4.088 4.433 1.00 0.00 N ATOM 780 CA ASN A 52 -19.735 4.753 3.359 1.00 0.00 C ATOM 781 C ASN A 52 -19.713 6.263 3.568 1.00 0.00 C ATOM 782 O ASN A 52 -20.739 6.874 3.870 1.00 0.00 O ATOM 783 CB ASN A 52 -20.370 4.425 2.007 1.00 0.00 C ATOM 784 CG ASN A 52 -21.859 4.703 1.987 1.00 0.00 C ATOM 785 OD1 ASN A 52 -22.290 5.819 1.695 1.00 0.00 O ATOM 786 ND2 ASN A 52 -22.656 3.688 2.301 1.00 0.00 N ATOM 0 H ASN A 52 -20.974 3.252 4.142 1.00 0.00 H new ATOM 0 HA ASN A 52 -18.708 4.388 3.372 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -19.883 5.011 1.228 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -20.196 3.375 1.772 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -23.668 3.817 2.306 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -22.256 2.780 2.537 1.00 0.00 H new ATOM 793 N VAL A 53 -18.536 6.859 3.410 1.00 0.00 N ATOM 794 CA VAL A 53 -18.379 8.298 3.585 1.00 0.00 C ATOM 795 C VAL A 53 -17.461 8.887 2.520 1.00 0.00 C ATOM 796 O VAL A 53 -16.615 8.189 1.961 1.00 0.00 O ATOM 797 CB VAL A 53 -17.808 8.632 4.976 1.00 0.00 C ATOM 798 CG1 VAL A 53 -16.386 8.110 5.107 1.00 0.00 C ATOM 799 CG2 VAL A 53 -17.856 10.130 5.232 1.00 0.00 C ATOM 0 H VAL A 53 -17.677 6.368 3.161 1.00 0.00 H new ATOM 0 HA VAL A 53 -19.371 8.738 3.488 1.00 0.00 H new ATOM 0 HB VAL A 53 -18.425 8.140 5.727 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -15.998 8.355 6.096 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -16.382 7.028 4.973 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -15.757 8.572 4.346 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -17.448 10.344 6.220 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -17.266 10.647 4.476 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -18.889 10.474 5.184 1.00 0.00 H new ATOM 809 N THR A 54 -17.629 10.175 2.248 1.00 0.00 N ATOM 810 CA THR A 54 -16.811 10.856 1.253 1.00 0.00 C ATOM 811 C THR A 54 -16.749 10.054 -0.044 1.00 0.00 C ATOM 812 O THR A 54 -15.677 9.858 -0.614 1.00 0.00 O ATOM 813 CB THR A 54 -15.399 11.073 1.798 1.00 0.00 C ATOM 814 OG1 THR A 54 -15.391 11.001 3.211 1.00 0.00 O ATOM 815 CG2 THR A 54 -14.802 12.404 1.402 1.00 0.00 C ATOM 0 H THR A 54 -18.324 10.768 2.702 1.00 0.00 H new ATOM 0 HA THR A 54 -17.268 11.822 1.038 1.00 0.00 H new ATOM 0 HB THR A 54 -14.795 10.279 1.359 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.479 11.141 3.541 1.00 0.00 H new ATOM 0 HG21 THR A 54 -13.800 12.493 1.822 1.00 0.00 H new ATOM 0 HG22 THR A 54 -14.747 12.469 0.315 1.00 0.00 H new ATOM 0 HG23 THR A 54 -15.428 13.211 1.783 1.00 0.00 H new ATOM 823 N SER A 55 -17.908 9.598 -0.504 1.00 0.00 N ATOM 824 CA SER A 55 -17.992 8.821 -1.736 1.00 0.00 C ATOM 825 C SER A 55 -16.934 7.722 -1.778 1.00 0.00 C ATOM 826 O SER A 55 -17.149 6.617 -1.276 1.00 0.00 O ATOM 827 CB SER A 55 -17.842 9.736 -2.951 1.00 0.00 C ATOM 828 OG SER A 55 -19.090 10.283 -3.335 1.00 0.00 O ATOM 0 H SER A 55 -18.804 9.753 -0.042 1.00 0.00 H new ATOM 0 HA SER A 55 -18.973 8.346 -1.761 1.00 0.00 H new ATOM 0 HB2 SER A 55 -17.144 10.541 -2.720 1.00 0.00 H new ATOM 0 HB3 SER A 55 -17.416 9.174 -3.783 1.00 0.00 H new ATOM 0 HG SER A 55 -18.966 10.866 -4.113 1.00 0.00 H new ATOM 834 N GLU A 56 -15.793 8.023 -2.394 1.00 0.00 N ATOM 835 CA GLU A 56 -14.711 7.053 -2.514 1.00 0.00 C ATOM 836 C GLU A 56 -13.738 7.155 -1.343 1.00 0.00 C ATOM 837 O GLU A 56 -13.956 6.556 -0.290 1.00 0.00 O ATOM 838 CB GLU A 56 -13.965 7.256 -3.834 1.00 0.00 C ATOM 839 CG GLU A 56 -14.431 6.330 -4.947 1.00 0.00 C ATOM 840 CD GLU A 56 -15.859 5.859 -4.756 1.00 0.00 C ATOM 841 OE1 GLU A 56 -16.709 6.684 -4.361 1.00 0.00 O ATOM 842 OE2 GLU A 56 -16.127 4.664 -5.002 1.00 0.00 O ATOM 0 H GLU A 56 -15.595 8.930 -2.817 1.00 0.00 H new ATOM 0 HA GLU A 56 -15.153 6.057 -2.499 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -14.090 8.290 -4.157 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -12.899 7.101 -3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -14.348 6.847 -5.903 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.770 5.464 -4.994 1.00 0.00 H new ATOM 849 N SER A 57 -12.663 7.911 -1.536 1.00 0.00 N ATOM 850 CA SER A 57 -11.657 8.083 -0.497 1.00 0.00 C ATOM 851 C SER A 57 -10.762 6.850 -0.408 1.00 0.00 C ATOM 852 O SER A 57 -10.525 6.172 -1.406 1.00 0.00 O ATOM 853 CB SER A 57 -12.331 8.342 0.851 1.00 0.00 C ATOM 854 OG SER A 57 -12.535 7.132 1.560 1.00 0.00 O ATOM 0 H SER A 57 -12.467 8.414 -2.402 1.00 0.00 H new ATOM 0 HA SER A 57 -11.038 8.942 -0.754 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.715 9.016 1.446 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.287 8.840 0.693 1.00 0.00 H new ATOM 0 HG SER A 57 -13.348 6.694 1.233 1.00 0.00 H new ATOM 860 N THR A 58 -10.267 6.564 0.792 1.00 0.00 N ATOM 861 CA THR A 58 -9.397 5.413 1.004 1.00 0.00 C ATOM 862 C THR A 58 -8.160 5.497 0.117 1.00 0.00 C ATOM 863 O THR A 58 -8.065 6.365 -0.750 1.00 0.00 O ATOM 864 CB THR A 58 -10.151 4.112 0.716 1.00 0.00 C ATOM 865 OG1 THR A 58 -11.263 4.352 -0.127 1.00 0.00 O ATOM 866 CG2 THR A 58 -10.659 3.424 1.966 1.00 0.00 C ATOM 0 H THR A 58 -10.453 7.113 1.631 1.00 0.00 H new ATOM 0 HA THR A 58 -9.081 5.419 2.047 1.00 0.00 H new ATOM 0 HB THR A 58 -9.425 3.459 0.233 1.00 0.00 H new ATOM 0 HG1 THR A 58 -10.948 4.633 -1.011 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.184 2.509 1.690 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.817 3.179 2.614 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.342 4.088 2.495 1.00 0.00 H new ATOM 874 N CYS A 59 -7.218 4.586 0.338 1.00 0.00 N ATOM 875 CA CYS A 59 -5.987 4.551 -0.441 1.00 0.00 C ATOM 876 C CYS A 59 -4.872 3.861 0.335 1.00 0.00 C ATOM 877 O CYS A 59 -4.660 4.136 1.516 1.00 0.00 O ATOM 878 CB CYS A 59 -5.552 5.967 -0.826 1.00 0.00 C ATOM 879 SG CYS A 59 -5.822 6.376 -2.580 1.00 0.00 S ATOM 0 H CYS A 59 -7.285 3.861 1.052 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.183 3.982 -1.350 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.095 6.683 -0.209 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.493 6.086 -0.595 1.00 0.00 H new ATOM 884 N CYS A 60 -4.162 2.964 -0.337 1.00 0.00 N ATOM 885 CA CYS A 60 -3.067 2.234 0.289 1.00 0.00 C ATOM 886 C CYS A 60 -1.858 3.142 0.489 1.00 0.00 C ATOM 887 O CYS A 60 -0.807 2.935 -0.122 1.00 0.00 O ATOM 888 CB CYS A 60 -2.682 1.028 -0.569 1.00 0.00 C ATOM 889 SG CYS A 60 -3.971 -0.257 -0.661 1.00 0.00 S ATOM 0 H CYS A 60 -4.325 2.724 -1.315 1.00 0.00 H new ATOM 0 HA CYS A 60 -3.400 1.884 1.266 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -2.453 1.371 -1.578 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.770 0.586 -0.168 1.00 0.00 H new ATOM 894 N VAL A 61 -2.010 4.151 1.343 1.00 0.00 N ATOM 895 CA VAL A 61 -0.924 5.087 1.612 1.00 0.00 C ATOM 896 C VAL A 61 -0.085 4.637 2.805 1.00 0.00 C ATOM 897 O VAL A 61 -0.163 5.218 3.887 1.00 0.00 O ATOM 898 CB VAL A 61 -1.447 6.514 1.864 1.00 0.00 C ATOM 899 CG1 VAL A 61 -1.364 7.339 0.589 1.00 0.00 C ATOM 900 CG2 VAL A 61 -2.872 6.482 2.396 1.00 0.00 C ATOM 0 H VAL A 61 -2.870 4.340 1.858 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.298 5.099 0.720 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.818 6.983 2.620 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.737 8.345 0.782 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.327 7.394 0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.969 6.871 -0.188 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.220 7.501 2.566 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.521 5.994 1.669 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.898 5.928 3.334 1.00 0.00 H new ATOM 910 N ALA A 62 0.718 3.602 2.578 1.00 0.00 N ATOM 911 CA ALA A 62 1.604 3.039 3.597 1.00 0.00 C ATOM 912 C ALA A 62 1.312 3.564 5.001 1.00 0.00 C ATOM 913 O ALA A 62 1.502 4.747 5.285 1.00 0.00 O ATOM 914 CB ALA A 62 3.052 3.326 3.232 1.00 0.00 C ATOM 0 H ALA A 62 0.774 3.126 1.678 1.00 0.00 H new ATOM 0 HA ALA A 62 1.422 1.964 3.617 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.709 2.905 3.993 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.280 2.875 2.266 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.206 4.404 3.175 1.00 0.00 H new ATOM 920 N LYS A 63 0.897 2.663 5.889 1.00 0.00 N ATOM 921 CA LYS A 63 0.630 3.022 7.274 1.00 0.00 C ATOM 922 C LYS A 63 1.862 3.692 7.850 1.00 0.00 C ATOM 923 O LYS A 63 1.778 4.661 8.605 1.00 0.00 O ATOM 924 CB LYS A 63 0.300 1.771 8.086 1.00 0.00 C ATOM 925 CG LYS A 63 -0.209 2.072 9.487 1.00 0.00 C ATOM 926 CD LYS A 63 0.261 1.028 10.487 1.00 0.00 C ATOM 927 CE LYS A 63 -0.022 -0.382 9.996 1.00 0.00 C ATOM 928 NZ LYS A 63 -1.473 -0.603 9.748 1.00 0.00 N ATOM 0 H LYS A 63 0.739 1.679 5.671 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.221 3.702 7.318 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.452 1.189 7.552 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.192 1.149 8.158 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.139 3.057 9.798 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.298 2.106 9.480 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.330 1.146 10.662 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.237 1.188 11.443 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.535 -0.565 9.077 1.00 0.00 H new ATOM 0 HE3 LYS A 63 0.334 -1.101 10.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.792 -1.439 10.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.010 0.231 10.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.632 -0.756 8.732 1.00 0.00 H new ATOM 942 N SER A 64 3.008 3.160 7.455 1.00 0.00 N ATOM 943 CA SER A 64 4.295 3.677 7.878 1.00 0.00 C ATOM 944 C SER A 64 5.205 3.774 6.668 1.00 0.00 C ATOM 945 O SER A 64 4.895 3.225 5.611 1.00 0.00 O ATOM 946 CB SER A 64 4.924 2.776 8.944 1.00 0.00 C ATOM 947 OG SER A 64 4.483 3.134 10.243 1.00 0.00 O ATOM 0 H SER A 64 3.069 2.356 6.831 1.00 0.00 H new ATOM 0 HA SER A 64 4.157 4.664 8.318 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.666 1.736 8.743 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.010 2.851 8.892 1.00 0.00 H new ATOM 0 HG SER A 64 4.898 2.542 10.904 1.00 0.00 H new ATOM 953 N TYR A 65 6.316 4.476 6.803 1.00 0.00 N ATOM 954 CA TYR A 65 7.225 4.624 5.683 1.00 0.00 C ATOM 955 C TYR A 65 8.659 4.812 6.123 1.00 0.00 C ATOM 956 O TYR A 65 8.933 5.257 7.238 1.00 0.00 O ATOM 957 CB TYR A 65 6.828 5.826 4.836 1.00 0.00 C ATOM 958 CG TYR A 65 6.298 6.989 5.636 1.00 0.00 C ATOM 959 CD1 TYR A 65 5.070 6.908 6.274 1.00 0.00 C ATOM 960 CD2 TYR A 65 7.027 8.166 5.752 1.00 0.00 C ATOM 961 CE1 TYR A 65 4.577 7.970 7.008 1.00 0.00 C ATOM 962 CE2 TYR A 65 6.541 9.232 6.486 1.00 0.00 C ATOM 963 CZ TYR A 65 5.316 9.130 7.112 1.00 0.00 C ATOM 964 OH TYR A 65 4.830 10.191 7.841 1.00 0.00 O ATOM 0 H TYR A 65 6.606 4.945 7.661 1.00 0.00 H new ATOM 0 HA TYR A 65 7.156 3.702 5.106 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.694 6.157 4.263 1.00 0.00 H new ATOM 0 HB3 TYR A 65 6.070 5.517 4.117 1.00 0.00 H new ATOM 0 HD1 TYR A 65 4.489 6.001 6.196 1.00 0.00 H new ATOM 0 HD2 TYR A 65 7.986 8.249 5.262 1.00 0.00 H new ATOM 0 HE1 TYR A 65 3.618 7.892 7.498 1.00 0.00 H new ATOM 0 HE2 TYR A 65 7.118 10.141 6.569 1.00 0.00 H new ATOM 0 HH TYR A 65 5.474 10.929 7.814 1.00 0.00 H new ATOM 974 N ASN A 66 9.569 4.528 5.206 1.00 0.00 N ATOM 975 CA ASN A 66 10.991 4.729 5.467 1.00 0.00 C ATOM 976 C ASN A 66 11.562 5.540 4.328 1.00 0.00 C ATOM 977 O ASN A 66 12.738 5.451 3.976 1.00 0.00 O ATOM 978 CB ASN A 66 11.734 3.404 5.621 1.00 0.00 C ATOM 979 CG ASN A 66 12.414 3.273 6.969 1.00 0.00 C ATOM 980 OD1 ASN A 66 11.762 3.050 7.990 1.00 0.00 O ATOM 981 ND2 ASN A 66 13.734 3.409 6.978 1.00 0.00 N ATOM 0 H ASN A 66 9.354 4.160 4.279 1.00 0.00 H new ATOM 0 HA ASN A 66 11.115 5.260 6.411 1.00 0.00 H new ATOM 0 HB2 ASN A 66 11.032 2.580 5.490 1.00 0.00 H new ATOM 0 HB3 ASN A 66 12.480 3.316 4.831 1.00 0.00 H new ATOM 0 HD21 ASN A 66 14.249 3.329 7.855 1.00 0.00 H new ATOM 0 HD22 ASN A 66 14.234 3.593 6.108 1.00 0.00 H new ATOM 988 N ARG A 67 10.661 6.320 3.774 1.00 0.00 N ATOM 989 CA ARG A 67 10.918 7.207 2.649 1.00 0.00 C ATOM 990 C ARG A 67 12.378 7.239 2.238 1.00 0.00 C ATOM 991 O ARG A 67 13.278 7.409 3.061 1.00 0.00 O ATOM 992 CB ARG A 67 10.423 8.610 2.977 1.00 0.00 C ATOM 993 CG ARG A 67 9.680 9.275 1.834 1.00 0.00 C ATOM 994 CD ARG A 67 10.380 10.543 1.383 1.00 0.00 C ATOM 995 NE ARG A 67 10.814 11.354 2.516 1.00 0.00 N ATOM 996 CZ ARG A 67 11.405 12.536 2.389 1.00 0.00 C ATOM 997 NH1 ARG A 67 11.648 13.028 1.183 1.00 0.00 N ATOM 998 NH2 ARG A 67 11.753 13.225 3.468 1.00 0.00 N ATOM 0 H ARG A 67 9.696 6.360 4.101 1.00 0.00 H new ATOM 0 HA ARG A 67 10.369 6.811 1.795 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.767 8.561 3.846 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.275 9.231 3.256 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.603 8.582 0.996 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.663 9.511 2.147 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.243 10.283 0.770 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.707 11.126 0.755 1.00 0.00 H new ATOM 0 HE ARG A 67 10.655 10.993 3.457 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.381 12.499 0.353 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.102 13.936 1.085 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.567 12.847 4.397 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.207 14.133 3.369 1.00 0.00 H new ATOM 1012 N VAL A 68 12.589 7.072 0.939 1.00 0.00 N ATOM 1013 CA VAL A 68 13.921 7.070 0.360 1.00 0.00 C ATOM 1014 C VAL A 68 13.897 7.718 -1.024 1.00 0.00 C ATOM 1015 O VAL A 68 14.450 7.206 -1.993 1.00 0.00 O ATOM 1016 CB VAL A 68 14.491 5.627 0.313 1.00 0.00 C ATOM 1017 CG1 VAL A 68 13.638 4.697 1.167 1.00 0.00 C ATOM 1018 CG2 VAL A 68 14.594 5.075 -1.104 1.00 0.00 C ATOM 0 H VAL A 68 11.841 6.934 0.260 1.00 0.00 H new ATOM 0 HA VAL A 68 14.585 7.662 0.990 1.00 0.00 H new ATOM 0 HB VAL A 68 15.504 5.678 0.712 1.00 0.00 H new ATOM 0 HG11 VAL A 68 14.048 3.688 1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 68 13.639 5.048 2.199 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.616 4.690 0.787 1.00 0.00 H new ATOM 0 HG21 VAL A 68 14.999 4.064 -1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 68 13.604 5.055 -1.560 1.00 0.00 H new ATOM 0 HG23 VAL A 68 15.253 5.711 -1.695 1.00 0.00 H new ATOM 1028 N THR A 69 13.237 8.866 -1.088 1.00 0.00 N ATOM 1029 CA THR A 69 13.102 9.628 -2.325 1.00 0.00 C ATOM 1030 C THR A 69 14.034 9.108 -3.409 1.00 0.00 C ATOM 1031 O THR A 69 15.249 9.046 -3.225 1.00 0.00 O ATOM 1032 CB THR A 69 13.376 11.109 -2.072 1.00 0.00 C ATOM 1033 OG1 THR A 69 12.315 11.698 -1.340 1.00 0.00 O ATOM 1034 CG2 THR A 69 13.553 11.907 -3.345 1.00 0.00 C ATOM 0 H THR A 69 12.779 9.297 -0.285 1.00 0.00 H new ATOM 0 HA THR A 69 12.077 9.506 -2.674 1.00 0.00 H new ATOM 0 HB THR A 69 14.308 11.140 -1.508 1.00 0.00 H new ATOM 0 HG1 THR A 69 11.475 11.581 -1.831 1.00 0.00 H new ATOM 0 HG21 THR A 69 13.745 12.951 -3.096 1.00 0.00 H new ATOM 0 HG22 THR A 69 14.395 11.508 -3.910 1.00 0.00 H new ATOM 0 HG23 THR A 69 12.647 11.838 -3.947 1.00 0.00 H new ATOM 1042 N VAL A 70 13.451 8.721 -4.534 1.00 0.00 N ATOM 1043 CA VAL A 70 14.225 8.192 -5.646 1.00 0.00 C ATOM 1044 C VAL A 70 14.089 9.028 -6.907 1.00 0.00 C ATOM 1045 O VAL A 70 13.554 10.136 -6.899 1.00 0.00 O ATOM 1046 CB VAL A 70 13.820 6.748 -5.987 1.00 0.00 C ATOM 1047 CG1 VAL A 70 13.726 5.906 -4.725 1.00 0.00 C ATOM 1048 CG2 VAL A 70 12.501 6.717 -6.745 1.00 0.00 C ATOM 0 H VAL A 70 12.446 8.763 -4.700 1.00 0.00 H new ATOM 0 HA VAL A 70 15.261 8.221 -5.310 1.00 0.00 H new ATOM 0 HB VAL A 70 14.592 6.325 -6.630 1.00 0.00 H new ATOM 0 HG11 VAL A 70 13.438 4.888 -4.987 1.00 0.00 H new ATOM 0 HG12 VAL A 70 14.694 5.892 -4.224 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.978 6.334 -4.057 1.00 0.00 H new ATOM 0 HG21 VAL A 70 12.237 5.685 -6.974 1.00 0.00 H new ATOM 0 HG22 VAL A 70 11.718 7.164 -6.132 1.00 0.00 H new ATOM 0 HG23 VAL A 70 12.601 7.280 -7.673 1.00 0.00 H new ATOM 1058 N MET A 71 14.592 8.455 -7.991 1.00 0.00 N ATOM 1059 CA MET A 71 14.570 9.073 -9.306 1.00 0.00 C ATOM 1060 C MET A 71 14.405 10.591 -9.237 1.00 0.00 C ATOM 1061 O MET A 71 15.237 11.293 -8.659 1.00 0.00 O ATOM 1062 CB MET A 71 13.477 8.438 -10.174 1.00 0.00 C ATOM 1063 CG MET A 71 12.098 8.439 -9.540 1.00 0.00 C ATOM 1064 SD MET A 71 10.796 8.764 -10.743 1.00 0.00 S ATOM 1065 CE MET A 71 11.320 7.713 -12.096 1.00 0.00 C ATOM 0 H MET A 71 15.033 7.535 -7.980 1.00 0.00 H new ATOM 0 HA MET A 71 15.540 8.888 -9.768 1.00 0.00 H new ATOM 0 HB2 MET A 71 13.428 8.971 -11.124 1.00 0.00 H new ATOM 0 HB3 MET A 71 13.760 7.410 -10.400 1.00 0.00 H new ATOM 0 HG2 MET A 71 11.918 7.475 -9.064 1.00 0.00 H new ATOM 0 HG3 MET A 71 12.062 9.194 -8.755 1.00 0.00 H new ATOM 0 HE1 MET A 71 10.452 7.418 -12.685 1.00 0.00 H new ATOM 0 HE2 MET A 71 12.020 8.257 -12.729 1.00 0.00 H new ATOM 0 HE3 MET A 71 11.807 6.823 -11.698 1.00 0.00 H new ATOM 1075 N GLY A 72 13.342 11.087 -9.849 1.00 0.00 N ATOM 1076 CA GLY A 72 13.076 12.517 -9.880 1.00 0.00 C ATOM 1077 C GLY A 72 12.657 13.084 -8.536 1.00 0.00 C ATOM 1078 O GLY A 72 11.878 14.035 -8.474 1.00 0.00 O ATOM 0 H GLY A 72 12.647 10.519 -10.333 1.00 0.00 H new ATOM 0 HA2 GLY A 72 13.970 13.038 -10.222 1.00 0.00 H new ATOM 0 HA3 GLY A 72 12.292 12.717 -10.610 1.00 0.00 H new ATOM 1082 N GLY A 73 13.170 12.501 -7.462 1.00 0.00 N ATOM 1083 CA GLY A 73 12.829 12.969 -6.131 1.00 0.00 C ATOM 1084 C GLY A 73 11.625 12.245 -5.574 1.00 0.00 C ATOM 1085 O GLY A 73 10.942 12.742 -4.678 1.00 0.00 O ATOM 0 H GLY A 73 13.816 11.712 -7.487 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.680 12.825 -5.466 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.627 14.040 -6.163 1.00 0.00 H new ATOM 1089 N PHE A 74 11.369 11.063 -6.116 1.00 0.00 N ATOM 1090 CA PHE A 74 10.244 10.245 -5.690 1.00 0.00 C ATOM 1091 C PHE A 74 10.149 10.180 -4.176 1.00 0.00 C ATOM 1092 O PHE A 74 10.950 10.782 -3.463 1.00 0.00 O ATOM 1093 CB PHE A 74 10.388 8.835 -6.257 1.00 0.00 C ATOM 1094 CG PHE A 74 9.580 8.606 -7.502 1.00 0.00 C ATOM 1095 CD1 PHE A 74 8.904 9.654 -8.111 1.00 0.00 C ATOM 1096 CD2 PHE A 74 9.498 7.344 -8.065 1.00 0.00 C ATOM 1097 CE1 PHE A 74 8.163 9.445 -9.257 1.00 0.00 C ATOM 1098 CE2 PHE A 74 8.758 7.129 -9.211 1.00 0.00 C ATOM 1099 CZ PHE A 74 8.088 8.182 -9.808 1.00 0.00 C ATOM 0 H PHE A 74 11.931 10.647 -6.858 1.00 0.00 H new ATOM 0 HA PHE A 74 9.330 10.704 -6.068 1.00 0.00 H new ATOM 0 HB2 PHE A 74 11.439 8.645 -6.475 1.00 0.00 H new ATOM 0 HB3 PHE A 74 10.084 8.114 -5.498 1.00 0.00 H new ATOM 0 HD1 PHE A 74 8.958 10.644 -7.684 1.00 0.00 H new ATOM 0 HD2 PHE A 74 10.019 6.518 -7.603 1.00 0.00 H new ATOM 0 HE1 PHE A 74 7.642 10.269 -9.722 1.00 0.00 H new ATOM 0 HE2 PHE A 74 8.702 6.140 -9.641 1.00 0.00 H new ATOM 0 HZ PHE A 74 7.507 8.016 -10.703 1.00 0.00 H new ATOM 1109 N LYS A 75 9.160 9.434 -3.697 1.00 0.00 N ATOM 1110 CA LYS A 75 8.943 9.264 -2.270 1.00 0.00 C ATOM 1111 C LYS A 75 8.219 7.955 -1.997 1.00 0.00 C ATOM 1112 O LYS A 75 7.002 7.931 -1.816 1.00 0.00 O ATOM 1113 CB LYS A 75 8.132 10.431 -1.700 1.00 0.00 C ATOM 1114 CG LYS A 75 8.420 11.766 -2.366 1.00 0.00 C ATOM 1115 CD LYS A 75 7.606 11.943 -3.638 1.00 0.00 C ATOM 1116 CE LYS A 75 7.537 13.404 -4.057 1.00 0.00 C ATOM 1117 NZ LYS A 75 7.741 14.322 -2.903 1.00 0.00 N ATOM 0 H LYS A 75 8.492 8.934 -4.284 1.00 0.00 H new ATOM 0 HA LYS A 75 9.917 9.243 -1.781 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.070 10.207 -1.803 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.338 10.517 -0.633 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.193 12.576 -1.672 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.482 11.835 -2.600 1.00 0.00 H new ATOM 0 HD2 LYS A 75 8.050 11.354 -4.440 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.597 11.560 -3.482 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.295 13.600 -4.816 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.568 13.605 -4.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.504 15.294 -3.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.127 14.032 -2.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.735 14.282 -2.599 1.00 0.00 H new ATOM 1131 N VAL A 76 8.979 6.869 -1.957 1.00 0.00 N ATOM 1132 CA VAL A 76 8.426 5.547 -1.691 1.00 0.00 C ATOM 1133 C VAL A 76 8.170 5.379 -0.230 1.00 0.00 C ATOM 1134 O VAL A 76 7.935 4.270 0.251 1.00 0.00 O ATOM 1135 CB VAL A 76 9.414 4.450 -2.119 1.00 0.00 C ATOM 1136 CG1 VAL A 76 9.632 4.499 -3.624 1.00 0.00 C ATOM 1137 CG2 VAL A 76 10.708 4.702 -1.369 1.00 0.00 C ATOM 0 H VAL A 76 9.988 6.878 -2.107 1.00 0.00 H new ATOM 0 HA VAL A 76 7.498 5.459 -2.256 1.00 0.00 H new ATOM 0 HB VAL A 76 9.029 3.458 -1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 76 10.334 3.717 -3.916 1.00 0.00 H new ATOM 0 HG12 VAL A 76 8.682 4.343 -4.135 1.00 0.00 H new ATOM 0 HG13 VAL A 76 10.037 5.472 -3.901 1.00 0.00 H new ATOM 0 HG21 VAL A 76 11.441 3.944 -1.643 1.00 0.00 H new ATOM 0 HG22 VAL A 76 11.092 5.689 -1.628 1.00 0.00 H new ATOM 0 HG23 VAL A 76 10.522 4.655 -0.296 1.00 0.00 H new ATOM 1147 N GLU A 77 8.240 6.487 0.468 1.00 0.00 N ATOM 1148 CA GLU A 77 8.050 6.480 1.906 1.00 0.00 C ATOM 1149 C GLU A 77 8.387 5.081 2.381 1.00 0.00 C ATOM 1150 O GLU A 77 7.628 4.459 3.119 1.00 0.00 O ATOM 1151 CB GLU A 77 6.602 6.848 2.250 1.00 0.00 C ATOM 1152 CG GLU A 77 5.820 7.409 1.071 1.00 0.00 C ATOM 1153 CD GLU A 77 6.083 8.884 0.837 1.00 0.00 C ATOM 1154 OE1 GLU A 77 7.265 9.262 0.700 1.00 0.00 O ATOM 1155 OE2 GLU A 77 5.106 9.661 0.786 1.00 0.00 O ATOM 0 H GLU A 77 8.427 7.406 0.068 1.00 0.00 H new ATOM 0 HA GLU A 77 8.689 7.214 2.397 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.090 5.962 2.626 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.604 7.582 3.056 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.080 6.852 0.171 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.754 7.258 1.243 1.00 0.00 H new ATOM 1162 N ASN A 78 9.504 4.563 1.848 1.00 0.00 N ATOM 1163 CA ASN A 78 9.911 3.186 2.100 1.00 0.00 C ATOM 1164 C ASN A 78 8.813 2.519 2.868 1.00 0.00 C ATOM 1165 O ASN A 78 8.969 2.160 4.033 1.00 0.00 O ATOM 1166 CB ASN A 78 11.205 3.032 2.875 1.00 0.00 C ATOM 1167 CG ASN A 78 11.502 1.557 3.062 1.00 0.00 C ATOM 1168 OD1 ASN A 78 10.592 0.764 3.291 1.00 0.00 O ATOM 1169 ND2 ASN A 78 12.758 1.174 3.009 1.00 0.00 N ATOM 0 H ASN A 78 10.137 5.083 1.240 1.00 0.00 H new ATOM 0 HA ASN A 78 10.093 2.732 1.126 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.023 3.515 2.340 1.00 0.00 H new ATOM 0 HB3 ASN A 78 11.123 3.524 3.844 1.00 0.00 H new ATOM 0 HD22 ASN A 78 13.492 1.856 2.817 1.00 0.00 H new ATOM 1174 N HIS A 79 7.680 2.429 2.225 1.00 0.00 N ATOM 1175 CA HIS A 79 6.519 1.883 2.861 1.00 0.00 C ATOM 1176 C HIS A 79 6.875 0.723 3.755 1.00 0.00 C ATOM 1177 O HIS A 79 7.261 -0.347 3.306 1.00 0.00 O ATOM 1178 CB HIS A 79 5.458 1.546 1.822 1.00 0.00 C ATOM 1179 CG HIS A 79 5.050 2.787 1.116 1.00 0.00 C ATOM 1180 ND1 HIS A 79 4.059 2.896 0.173 1.00 0.00 N ATOM 1181 CD2 HIS A 79 5.559 4.019 1.269 1.00 0.00 C ATOM 1182 CE1 HIS A 79 4.002 4.175 -0.213 1.00 0.00 C ATOM 1183 NE2 HIS A 79 4.897 4.904 0.425 1.00 0.00 N ATOM 0 H HIS A 79 7.539 2.728 1.260 1.00 0.00 H new ATOM 0 HA HIS A 79 6.086 2.636 3.520 1.00 0.00 H new ATOM 0 HB2 HIS A 79 5.849 0.820 1.109 1.00 0.00 H new ATOM 0 HB3 HIS A 79 4.594 1.087 2.303 1.00 0.00 H new ATOM 0 HD2 HIS A 79 6.360 4.283 1.944 1.00 0.00 H new ATOM 0 HE1 HIS A 79 3.313 4.560 -0.950 1.00 0.00 H new ATOM 0 HE2 HIS A 79 5.067 5.904 0.321 1.00 0.00 H new ATOM 1191 N THR A 80 6.770 0.985 5.038 1.00 0.00 N ATOM 1192 CA THR A 80 7.094 0.003 6.052 1.00 0.00 C ATOM 1193 C THR A 80 5.821 -0.576 6.670 1.00 0.00 C ATOM 1194 O THR A 80 5.874 -1.506 7.474 1.00 0.00 O ATOM 1195 CB THR A 80 7.989 0.648 7.109 1.00 0.00 C ATOM 1196 OG1 THR A 80 7.219 1.394 8.035 1.00 0.00 O ATOM 1197 CG2 THR A 80 9.026 1.582 6.505 1.00 0.00 C ATOM 0 H THR A 80 6.458 1.882 5.409 1.00 0.00 H new ATOM 0 HA THR A 80 7.635 -0.827 5.597 1.00 0.00 H new ATOM 0 HB THR A 80 8.501 -0.175 7.608 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.812 1.797 8.704 1.00 0.00 H new ATOM 0 HG21 THR A 80 9.635 2.013 7.300 1.00 0.00 H new ATOM 0 HG22 THR A 80 9.665 1.023 5.821 1.00 0.00 H new ATOM 0 HG23 THR A 80 8.523 2.381 5.960 1.00 0.00 H new ATOM 1205 N ALA A 81 4.677 -0.023 6.267 1.00 0.00 N ATOM 1206 CA ALA A 81 3.383 -0.474 6.746 1.00 0.00 C ATOM 1207 C ALA A 81 2.298 0.025 5.797 1.00 0.00 C ATOM 1208 O ALA A 81 2.416 1.116 5.244 1.00 0.00 O ATOM 1209 CB ALA A 81 3.145 0.023 8.164 1.00 0.00 C ATOM 0 H ALA A 81 4.628 0.748 5.601 1.00 0.00 H new ATOM 0 HA ALA A 81 3.356 -1.563 6.769 1.00 0.00 H new ATOM 0 HB1 ALA A 81 2.171 -0.322 8.512 1.00 0.00 H new ATOM 0 HB2 ALA A 81 3.923 -0.365 8.821 1.00 0.00 H new ATOM 0 HB3 ALA A 81 3.170 1.113 8.177 1.00 0.00 H new ATOM 1215 N CYS A 82 1.257 -0.773 5.584 1.00 0.00 N ATOM 1216 CA CYS A 82 0.185 -0.379 4.671 1.00 0.00 C ATOM 1217 C CYS A 82 -1.169 -0.332 5.376 1.00 0.00 C ATOM 1218 O CYS A 82 -1.371 -0.974 6.408 1.00 0.00 O ATOM 1219 CB CYS A 82 0.118 -1.340 3.483 1.00 0.00 C ATOM 1220 SG CYS A 82 1.559 -1.245 2.374 1.00 0.00 S ATOM 0 H CYS A 82 1.131 -1.685 6.023 1.00 0.00 H new ATOM 0 HA CYS A 82 0.413 0.625 4.313 1.00 0.00 H new ATOM 0 HB2 CYS A 82 0.027 -2.359 3.858 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -0.784 -1.130 2.909 1.00 0.00 H new ATOM 1225 N HIS A 83 -2.094 0.433 4.801 1.00 0.00 N ATOM 1226 CA HIS A 83 -3.438 0.574 5.350 1.00 0.00 C ATOM 1227 C HIS A 83 -4.244 1.579 4.531 1.00 0.00 C ATOM 1228 O HIS A 83 -3.880 2.751 4.437 1.00 0.00 O ATOM 1229 CB HIS A 83 -3.378 1.016 6.814 1.00 0.00 C ATOM 1230 CG HIS A 83 -3.153 2.485 6.990 1.00 0.00 C ATOM 1231 ND1 HIS A 83 -2.301 3.333 6.367 1.00 0.00 N flip ATOM 1232 CD2 HIS A 83 -3.849 3.249 7.902 1.00 0.00 C flip ATOM 1233 CE1 HIS A 83 -2.498 4.581 6.907 1.00 0.00 C flip ATOM 1234 NE2 HIS A 83 -3.438 4.503 7.831 1.00 0.00 N flip ATOM 0 H HIS A 83 -1.934 0.968 3.948 1.00 0.00 H new ATOM 0 HA HIS A 83 -3.932 -0.397 5.300 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -4.310 0.739 7.307 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.578 0.472 7.316 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -4.612 2.880 8.571 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -1.970 5.479 6.622 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -3.787 5.278 8.394 1.00 0.00 H new ATOM 1243 N CYS A 84 -5.332 1.107 3.931 1.00 0.00 N ATOM 1244 CA CYS A 84 -6.186 1.959 3.106 1.00 0.00 C ATOM 1245 C CYS A 84 -6.587 3.229 3.847 1.00 0.00 C ATOM 1246 O CYS A 84 -7.031 3.180 4.993 1.00 0.00 O ATOM 1247 CB CYS A 84 -7.438 1.196 2.670 1.00 0.00 C ATOM 1248 SG CYS A 84 -7.095 -0.427 1.917 1.00 0.00 S ATOM 0 H CYS A 84 -5.645 0.139 4.000 1.00 0.00 H new ATOM 0 HA CYS A 84 -5.613 2.245 2.224 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -8.084 1.053 3.536 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -7.992 1.806 1.956 1.00 0.00 H new ATOM 1253 N SER A 85 -6.430 4.366 3.178 1.00 0.00 N ATOM 1254 CA SER A 85 -6.777 5.657 3.759 1.00 0.00 C ATOM 1255 C SER A 85 -6.687 6.758 2.707 1.00 0.00 C ATOM 1256 O SER A 85 -5.843 6.702 1.814 1.00 0.00 O ATOM 1257 CB SER A 85 -5.850 5.974 4.935 1.00 0.00 C ATOM 1258 OG SER A 85 -4.618 5.286 4.814 1.00 0.00 O ATOM 0 H SER A 85 -6.063 4.419 2.228 1.00 0.00 H new ATOM 0 HA SER A 85 -7.803 5.608 4.123 1.00 0.00 H new ATOM 0 HB2 SER A 85 -5.667 7.048 4.979 1.00 0.00 H new ATOM 0 HB3 SER A 85 -6.336 5.695 5.870 1.00 0.00 H new ATOM 0 HG SER A 85 -4.743 4.346 5.062 1.00 0.00 H new ATOM 1264 N THR A 86 -7.567 7.754 2.814 1.00 0.00 N ATOM 1265 CA THR A 86 -7.589 8.866 1.865 1.00 0.00 C ATOM 1266 C THR A 86 -6.199 9.125 1.294 1.00 0.00 C ATOM 1267 O THR A 86 -5.196 8.999 1.996 1.00 0.00 O ATOM 1268 CB THR A 86 -8.128 10.134 2.535 1.00 0.00 C ATOM 1269 OG1 THR A 86 -8.791 10.956 1.591 1.00 0.00 O ATOM 1270 CG2 THR A 86 -7.054 10.971 3.198 1.00 0.00 C ATOM 0 H THR A 86 -8.273 7.813 3.548 1.00 0.00 H new ATOM 0 HA THR A 86 -8.252 8.593 1.044 1.00 0.00 H new ATOM 0 HB THR A 86 -8.814 9.781 3.305 1.00 0.00 H new ATOM 0 HG1 THR A 86 -9.130 11.760 2.038 1.00 0.00 H new ATOM 0 HG21 THR A 86 -7.508 11.852 3.651 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.557 10.381 3.969 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.323 11.282 2.452 1.00 0.00 H new ATOM 1278 N CYS A 87 -6.147 9.479 0.014 1.00 0.00 N ATOM 1279 CA CYS A 87 -4.878 9.748 -0.652 1.00 0.00 C ATOM 1280 C CYS A 87 -4.559 11.239 -0.647 1.00 0.00 C ATOM 1281 O CYS A 87 -5.396 12.062 -1.018 1.00 0.00 O ATOM 1282 CB CYS A 87 -4.903 9.228 -2.093 1.00 0.00 C ATOM 1283 SG CYS A 87 -6.418 8.316 -2.539 1.00 0.00 S ATOM 0 H CYS A 87 -6.968 9.586 -0.582 1.00 0.00 H new ATOM 0 HA CYS A 87 -4.098 9.225 -0.099 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -4.788 10.072 -2.773 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -4.043 8.576 -2.246 1.00 0.00 H new ATOM 1288 N TYR A 88 -3.341 11.576 -0.227 1.00 0.00 N ATOM 1289 CA TYR A 88 -2.899 12.968 -0.176 1.00 0.00 C ATOM 1290 C TYR A 88 -3.605 13.801 -1.239 1.00 0.00 C ATOM 1291 O TYR A 88 -3.421 13.580 -2.435 1.00 0.00 O ATOM 1292 CB TYR A 88 -1.385 13.050 -0.378 1.00 0.00 C ATOM 1293 CG TYR A 88 -0.630 13.566 0.829 1.00 0.00 C ATOM 1294 CD1 TYR A 88 -1.164 13.457 2.107 1.00 0.00 C ATOM 1295 CD2 TYR A 88 0.618 14.159 0.687 1.00 0.00 C ATOM 1296 CE1 TYR A 88 -0.474 13.926 3.209 1.00 0.00 C ATOM 1297 CE2 TYR A 88 1.314 14.628 1.785 1.00 0.00 C ATOM 1298 CZ TYR A 88 0.764 14.510 3.043 1.00 0.00 C ATOM 1299 OH TYR A 88 1.453 14.977 4.138 1.00 0.00 O ATOM 0 H TYR A 88 -2.641 10.902 0.084 1.00 0.00 H new ATOM 0 HA TYR A 88 -3.153 13.368 0.806 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.009 12.059 -0.633 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.177 13.699 -1.229 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.133 12.999 2.241 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.052 14.255 -0.297 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -0.903 13.835 4.196 1.00 0.00 H new ATOM 0 HE2 TYR A 88 2.284 15.085 1.658 1.00 0.00 H new ATOM 0 HH TYR A 88 2.308 15.358 3.848 1.00 0.00 H new ATOM 1309 N TYR A 89 -4.413 14.759 -0.788 1.00 0.00 N ATOM 1310 CA TYR A 89 -5.157 15.638 -1.687 1.00 0.00 C ATOM 1311 C TYR A 89 -4.659 15.521 -3.123 1.00 0.00 C ATOM 1312 O TYR A 89 -5.321 14.927 -3.972 1.00 0.00 O ATOM 1313 CB TYR A 89 -5.046 17.087 -1.214 1.00 0.00 C ATOM 1314 CG TYR A 89 -6.168 17.509 -0.293 1.00 0.00 C ATOM 1315 CD1 TYR A 89 -6.612 16.675 0.726 1.00 0.00 C ATOM 1316 CD2 TYR A 89 -6.785 18.743 -0.447 1.00 0.00 C ATOM 1317 CE1 TYR A 89 -7.640 17.059 1.566 1.00 0.00 C ATOM 1318 CE2 TYR A 89 -7.813 19.136 0.389 1.00 0.00 C ATOM 1319 CZ TYR A 89 -8.237 18.290 1.394 1.00 0.00 C ATOM 1320 OH TYR A 89 -9.261 18.678 2.229 1.00 0.00 O ATOM 0 H TYR A 89 -4.569 14.947 0.202 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.202 15.328 -1.667 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -4.095 17.221 -0.699 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.033 17.745 -2.083 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -6.146 15.711 0.864 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.456 19.407 -1.233 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -7.974 16.399 2.353 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.282 20.100 0.257 1.00 0.00 H new ATOM 0 HH TYR A 89 -9.570 19.572 1.974 1.00 0.00 H new ATOM 1330 N HIS A 90 -3.486 16.090 -3.384 1.00 0.00 N ATOM 1331 CA HIS A 90 -2.886 16.053 -4.713 1.00 0.00 C ATOM 1332 C HIS A 90 -1.964 17.248 -4.922 1.00 0.00 C ATOM 1333 O HIS A 90 -2.268 18.362 -4.494 1.00 0.00 O ATOM 1334 CB HIS A 90 -3.967 16.033 -5.797 1.00 0.00 C ATOM 1335 CG HIS A 90 -4.207 14.673 -6.377 1.00 0.00 C ATOM 1336 ND1 HIS A 90 -4.300 13.459 -5.784 1.00 0.00 N flip ATOM 1337 CD2 HIS A 90 -4.380 14.451 -7.728 1.00 0.00 C flip ATOM 1338 CE1 HIS A 90 -4.524 12.538 -6.777 1.00 0.00 C flip ATOM 1339 NE2 HIS A 90 -4.569 13.160 -7.939 1.00 0.00 N flip ATOM 0 H HIS A 90 -2.929 16.585 -2.687 1.00 0.00 H new ATOM 0 HA HIS A 90 -2.298 15.138 -4.789 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -4.899 16.409 -5.376 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -3.680 16.715 -6.597 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -4.219 13.265 -4.786 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -4.364 15.213 -8.493 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -4.644 11.475 -6.630 1.00 0.00 H new ATOM 1348 N LYS A 91 -0.835 17.009 -5.579 1.00 0.00 N ATOM 1349 CA LYS A 91 0.135 18.065 -5.842 1.00 0.00 C ATOM 1350 C LYS A 91 -0.553 19.310 -6.395 1.00 0.00 C ATOM 1351 O LYS A 91 -1.737 19.277 -6.734 1.00 0.00 O ATOM 1352 CB LYS A 91 1.199 17.568 -6.826 1.00 0.00 C ATOM 1353 CG LYS A 91 2.120 16.505 -6.244 1.00 0.00 C ATOM 1354 CD LYS A 91 3.326 16.257 -7.139 1.00 0.00 C ATOM 1355 CE LYS A 91 3.029 15.208 -8.198 1.00 0.00 C ATOM 1356 NZ LYS A 91 2.106 15.725 -9.243 1.00 0.00 N ATOM 0 H LYS A 91 -0.569 16.093 -5.939 1.00 0.00 H new ATOM 0 HA LYS A 91 0.616 18.331 -4.901 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.704 17.164 -7.709 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.800 18.415 -7.157 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.458 16.817 -5.256 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.566 15.575 -6.113 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.620 17.189 -7.621 1.00 0.00 H new ATOM 0 HD3 LYS A 91 4.171 15.933 -6.531 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.961 14.887 -8.663 1.00 0.00 H new ATOM 0 HE3 LYS A 91 2.589 14.330 -7.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.392 15.356 -10.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 1.135 15.417 -9.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.144 16.764 -9.256 1.00 0.00 H new ATOM 1370 N SER A 92 0.192 20.407 -6.480 1.00 0.00 N ATOM 1371 CA SER A 92 -0.350 21.662 -6.991 1.00 0.00 C ATOM 1372 C SER A 92 -0.919 21.476 -8.393 1.00 0.00 C ATOM 1373 O SER A 92 -2.035 21.976 -8.650 1.00 0.00 O ATOM 1374 CB SER A 92 0.732 22.743 -7.003 1.00 0.00 C ATOM 1375 OG SER A 92 0.693 23.492 -8.206 1.00 0.00 O ATOM 1376 OXT SER A 92 -0.246 20.830 -9.224 1.00 0.00 O ATOM 0 H SER A 92 1.172 20.453 -6.202 1.00 0.00 H new ATOM 0 HA SER A 92 -1.158 21.977 -6.330 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.594 23.409 -6.152 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.713 22.281 -6.890 1.00 0.00 H new ATOM 0 HG SER A 92 1.393 24.177 -8.188 1.00 0.00 H new TER 1382 SER A 92 HETATM 1383 C1 NAG A 178 13.056 -0.241 3.048 1.00 0.00 C HETATM 1384 C2 NAG A 178 14.558 -0.459 3.132 1.00 0.00 C HETATM 1385 C3 NAG A 178 14.872 -1.946 3.151 1.00 0.00 C HETATM 1386 C4 NAG A 178 14.076 -2.644 4.243 1.00 0.00 C HETATM 1387 C5 NAG A 178 12.597 -2.286 4.141 1.00 0.00 C HETATM 1388 C6 NAG A 178 11.779 -2.841 5.289 1.00 0.00 C HETATM 1389 C7 NAG A 178 16.076 1.141 2.170 1.00 0.00 C HETATM 1390 C8 NAG A 178 16.715 1.744 0.931 1.00 0.00 C HETATM 1391 N2 NAG A 178 15.202 0.157 1.990 1.00 0.00 N HETATM 1392 O3 NAG A 178 16.259 -2.125 3.396 1.00 0.00 O HETATM 1393 O4 NAG A 178 14.219 -4.074 4.092 1.00 0.00 O HETATM 1394 O5 NAG A 178 12.408 -0.861 4.157 1.00 0.00 O HETATM 1395 O6 NAG A 178 12.315 -2.444 6.542 1.00 0.00 O HETATM 1396 O7 NAG A 178 16.376 1.570 3.285 1.00 0.00 O HETATM 0 HO6 NAG A 178 11.767 -2.815 7.265 1.00 0.00 H new HETATM 0 HO3 NAG A 178 16.468 -3.082 3.411 1.00 0.00 H new HETATM 0 HN2 NAG A 178 14.984 -0.165 1.047 1.00 0.00 H new HETATM 0 H83 NAG A 178 17.259 0.970 0.389 1.00 0.00 H new HETATM 0 H82 NAG A 178 15.940 2.161 0.288 1.00 0.00 H new HETATM 0 H81 NAG A 178 17.405 2.534 1.226 1.00 0.00 H new HETATM 0 H62 NAG A 178 10.749 -2.495 5.205 1.00 0.00 H new HETATM 0 H61 NAG A 178 11.755 -3.929 5.229 1.00 0.00 H new HETATM 0 H5 NAG A 178 12.262 -2.725 3.201 1.00 0.00 H new HETATM 0 H4 NAG A 178 14.455 -2.321 5.213 1.00 0.00 H new HETATM 0 H3 NAG A 178 14.601 -2.378 2.187 1.00 0.00 H new HETATM 0 H2 NAG A 178 14.931 -0.006 4.051 1.00 0.00 H new HETATM 1410 C1 NAG A 179 14.109 -4.840 5.245 1.00 0.00 C HETATM 1411 C2 NAG A 179 13.672 -6.251 4.877 1.00 0.00 C HETATM 1412 C3 NAG A 179 13.641 -7.126 6.118 1.00 0.00 C HETATM 1413 C4 NAG A 179 14.979 -7.080 6.826 1.00 0.00 C HETATM 1414 C5 NAG A 179 15.389 -5.641 7.112 1.00 0.00 C HETATM 1415 C6 NAG A 179 16.788 -5.543 7.687 1.00 0.00 C HETATM 1416 C7 NAG A 179 11.301 -6.833 4.789 1.00 0.00 C HETATM 1417 C8 NAG A 179 9.975 -6.697 4.058 1.00 0.00 C HETATM 1418 N2 NAG A 179 12.350 -6.196 4.262 1.00 0.00 N HETATM 1419 O3 NAG A 179 13.360 -8.468 5.740 1.00 0.00 O HETATM 1420 O4 NAG A 179 14.874 -7.792 8.074 1.00 0.00 O HETATM 1421 O5 NAG A 179 15.383 -4.842 5.905 1.00 0.00 O HETATM 1422 O6 NAG A 179 17.157 -4.192 7.916 1.00 0.00 O HETATM 1423 O7 NAG A 179 11.358 -7.508 5.815 1.00 0.00 O HETATM 0 HO6 NAG A 179 16.812 -3.631 7.190 1.00 0.00 H new HETATM 0 HO3 NAG A 179 12.445 -8.698 6.004 1.00 0.00 H new HETATM 0 HN2 NAG A 179 12.223 -5.656 3.406 1.00 0.00 H new HETATM 0 H83 NAG A 179 9.689 -5.646 4.016 1.00 0.00 H new HETATM 0 H82 NAG A 179 10.076 -7.087 3.045 1.00 0.00 H new HETATM 0 H81 NAG A 179 9.208 -7.261 4.588 1.00 0.00 H new HETATM 0 H62 NAG A 179 16.839 -6.100 8.623 1.00 0.00 H new HETATM 0 H61 NAG A 179 17.499 -6.005 7.002 1.00 0.00 H new HETATM 0 H5 NAG A 179 14.659 -5.273 7.833 1.00 0.00 H new HETATM 0 H4 NAG A 179 15.731 -7.540 6.184 1.00 0.00 H new HETATM 0 H3 NAG A 179 12.868 -6.757 6.792 1.00 0.00 H new HETATM 0 H2 NAG A 179 14.381 -6.682 4.170 1.00 0.00 H new HETATM 1437 C1 BMA A 180 15.937 -8.619 8.393 1.00 0.00 C HETATM 1438 C2 BMA A 180 15.913 -8.930 9.882 1.00 0.00 C HETATM 1439 C3 BMA A 180 17.024 -9.903 10.236 1.00 0.00 C HETATM 1440 C4 BMA A 180 16.966 -11.126 9.335 1.00 0.00 C HETATM 1441 C5 BMA A 180 16.931 -10.713 7.870 1.00 0.00 C HETATM 1442 C6 BMA A 180 16.759 -11.895 6.940 1.00 0.00 C HETATM 1443 O2 BMA A 180 14.660 -9.508 10.218 1.00 0.00 O HETATM 1444 O3 BMA A 180 16.876 -10.324 11.604 1.00 0.00 O HETATM 1445 O4 BMA A 180 18.118 -11.925 9.566 1.00 0.00 O HETATM 1446 O5 BMA A 180 15.834 -9.816 7.611 1.00 0.00 O HETATM 1447 O6 BMA A 180 16.495 -11.432 5.604 1.00 0.00 O HETATM 0 HO4 BMA A 180 17.951 -12.839 9.253 1.00 0.00 H new HETATM 0 HO2 BMA A 180 14.780 -10.145 10.953 1.00 0.00 H new HETATM 0 H62 BMA A 180 17.658 -12.511 6.950 1.00 0.00 H new HETATM 0 H61 BMA A 180 15.938 -12.524 7.285 1.00 0.00 H new HETATM 0 H5 BMA A 180 17.890 -10.230 7.681 1.00 0.00 H new HETATM 0 H4 BMA A 180 16.061 -11.689 9.562 1.00 0.00 H new HETATM 0 H3 BMA A 180 17.982 -9.402 10.099 1.00 0.00 H new HETATM 0 H2 BMA A 180 16.061 -8.005 10.440 1.00 0.00 H new HETATM 1457 C1 MAN A 181 17.669 -9.631 12.523 1.00 0.00 C HETATM 1458 C2 MAN A 181 17.721 -10.424 13.814 1.00 0.00 C HETATM 1459 C3 MAN A 181 16.361 -10.446 14.488 1.00 0.00 C HETATM 1460 C4 MAN A 181 15.846 -9.033 14.679 1.00 0.00 C HETATM 1461 C5 MAN A 181 15.862 -8.276 13.358 1.00 0.00 C HETATM 1462 C6 MAN A 181 15.505 -6.813 13.530 1.00 0.00 C HETATM 1463 O2 MAN A 181 18.668 -9.799 14.691 1.00 0.00 O HETATM 1464 O3 MAN A 181 16.479 -11.078 15.755 1.00 0.00 O HETATM 1465 O4 MAN A 181 14.514 -9.087 15.171 1.00 0.00 O HETATM 1466 O5 MAN A 181 17.170 -8.315 12.752 1.00 0.00 O HETATM 1467 O6 MAN A 181 16.371 -6.180 14.459 1.00 0.00 O HETATM 0 HO6 MAN A 181 16.120 -5.237 14.550 1.00 0.00 H new HETATM 0 HO4 MAN A 181 14.287 -8.233 15.594 1.00 0.00 H new HETATM 0 HO3 MAN A 181 17.266 -11.662 15.757 1.00 0.00 H new HETATM 0 H62 MAN A 181 15.566 -6.305 12.567 1.00 0.00 H new HETATM 0 H61 MAN A 181 14.474 -6.725 13.872 1.00 0.00 H new HETATM 0 H5 MAN A 181 15.121 -8.770 12.729 1.00 0.00 H new HETATM 0 H4 MAN A 181 16.490 -8.514 15.389 1.00 0.00 H new HETATM 0 H3 MAN A 181 15.661 -10.996 13.859 1.00 0.00 H new HETATM 0 H2 MAN A 181 18.014 -11.450 13.592 1.00 0.00 H new HETATM 1478 C1 MAN A 182 15.273 -11.919 5.143 1.00 0.00 C HETATM 1479 C2 MAN A 182 15.382 -13.426 4.974 1.00 0.00 C HETATM 1480 C3 MAN A 182 16.311 -13.775 3.823 1.00 0.00 C HETATM 1481 C4 MAN A 182 15.873 -13.063 2.558 1.00 0.00 C HETATM 1482 C5 MAN A 182 15.762 -11.566 2.806 1.00 0.00 C HETATM 1483 C6 MAN A 182 15.191 -10.827 1.613 1.00 0.00 C HETATM 1484 O2 MAN A 182 14.075 -13.945 4.688 1.00 0.00 O HETATM 1485 O3 MAN A 182 16.276 -15.178 3.605 1.00 0.00 O HETATM 1486 O4 MAN A 182 16.828 -13.301 1.534 1.00 0.00 O HETATM 1487 O5 MAN A 182 14.891 -11.290 3.920 1.00 0.00 O HETATM 1488 O6 MAN A 182 13.896 -11.306 1.282 1.00 0.00 O HETATM 0 HO6 MAN A 182 13.419 -11.553 2.102 1.00 0.00 H new HETATM 0 HO4 MAN A 182 16.419 -13.133 0.660 1.00 0.00 H new HETATM 0 HO3 MAN A 182 15.473 -15.554 4.023 1.00 0.00 H new HETATM 0 H62 MAN A 182 15.142 -9.760 1.833 1.00 0.00 H new HETATM 0 H61 MAN A 182 15.855 -10.946 0.757 1.00 0.00 H new HETATM 0 H5 MAN A 182 16.778 -11.225 3.004 1.00 0.00 H new HETATM 0 H4 MAN A 182 14.898 -13.444 2.255 1.00 0.00 H new HETATM 0 H3 MAN A 182 17.323 -13.459 4.075 1.00 0.00 H new HETATM 0 H2 MAN A 182 15.784 -13.859 5.890 1.00 0.00 H new HETATM 1499 C1 NAG A 183 13.445 -14.632 5.707 1.00 0.00 C HETATM 1500 C2 NAG A 183 12.070 -15.089 5.209 1.00 0.00 C HETATM 1501 C3 NAG A 183 11.393 -15.966 6.246 1.00 0.00 C HETATM 1502 C4 NAG A 183 12.306 -17.108 6.639 1.00 0.00 C HETATM 1503 C5 NAG A 183 13.664 -16.576 7.073 1.00 0.00 C HETATM 1504 C6 NAG A 183 14.653 -17.688 7.366 1.00 0.00 C HETATM 1505 C7 NAG A 183 10.952 -13.578 3.715 1.00 0.00 C HETATM 1506 C8 NAG A 183 10.386 -12.185 3.497 1.00 0.00 C HETATM 1507 N2 NAG A 183 11.250 -13.922 4.962 1.00 0.00 N HETATM 1508 O3 NAG A 183 10.191 -16.491 5.702 1.00 0.00 O HETATM 1509 O4 NAG A 183 11.712 -17.838 7.730 1.00 0.00 O HETATM 1510 O5 NAG A 183 14.250 -15.763 6.038 1.00 0.00 O HETATM 1511 O6 NAG A 183 14.852 -18.514 6.227 1.00 0.00 O HETATM 1512 O7 NAG A 183 11.113 -14.332 2.756 1.00 0.00 O HETATM 0 HO6 NAG A 183 14.824 -17.965 5.416 1.00 0.00 H new HETATM 0 HO3 NAG A 183 10.187 -17.466 5.799 1.00 0.00 H new HETATM 0 HN2 NAG A 183 10.902 -13.366 5.743 1.00 0.00 H new HETATM 0 H83 NAG A 183 9.458 -12.077 4.059 1.00 0.00 H new HETATM 0 H82 NAG A 183 11.106 -11.442 3.840 1.00 0.00 H new HETATM 0 H81 NAG A 183 10.187 -12.035 2.436 1.00 0.00 H new HETATM 0 H62 NAG A 183 15.605 -17.258 7.677 1.00 0.00 H new HETATM 0 H61 NAG A 183 14.289 -18.292 8.197 1.00 0.00 H new HETATM 0 H5 NAG A 183 13.478 -15.997 7.978 1.00 0.00 H new HETATM 0 H4 NAG A 183 12.441 -17.764 5.779 1.00 0.00 H new HETATM 0 H3 NAG A 183 11.171 -15.368 7.130 1.00 0.00 H new HETATM 0 H2 NAG A 183 12.196 -15.665 4.292 1.00 0.00 H new HETATM 1526 C1 NAG A 184 19.657 -10.614 15.199 1.00 0.00 C HETATM 1527 C2 NAG A 184 20.499 -9.811 16.196 1.00 0.00 C HETATM 1528 C3 NAG A 184 21.484 -10.715 16.909 1.00 0.00 C HETATM 1529 C4 NAG A 184 20.749 -11.874 17.541 1.00 0.00 C HETATM 1530 C5 NAG A 184 19.949 -12.616 16.483 1.00 0.00 C HETATM 1531 C6 NAG A 184 19.136 -13.756 17.065 1.00 0.00 C HETATM 1532 C7 NAG A 184 22.033 -9.105 14.482 1.00 0.00 C HETATM 1533 C8 NAG A 184 22.665 -7.965 13.700 1.00 0.00 C HETATM 1534 N2 NAG A 184 21.224 -8.781 15.484 1.00 0.00 N HETATM 1535 O3 NAG A 184 22.156 -9.972 17.917 1.00 0.00 O HETATM 1536 O4 NAG A 184 21.699 -12.768 18.153 1.00 0.00 O HETATM 1537 O5 NAG A 184 19.018 -11.726 15.837 1.00 0.00 O HETATM 1538 O6 NAG A 184 18.226 -13.290 18.049 1.00 0.00 O HETATM 1539 O7 NAG A 184 22.276 -10.271 14.171 1.00 0.00 O HETATM 0 HO6 NAG A 184 18.720 -12.835 18.762 1.00 0.00 H new HETATM 0 HO3 NAG A 184 22.900 -10.502 18.273 1.00 0.00 H new HETATM 0 HN2 NAG A 184 21.113 -7.803 15.752 1.00 0.00 H new HETATM 0 H83 NAG A 184 21.882 -7.352 13.254 1.00 0.00 H new HETATM 0 H82 NAG A 184 23.267 -7.353 14.372 1.00 0.00 H new HETATM 0 H81 NAG A 184 23.300 -8.372 12.913 1.00 0.00 H new HETATM 0 H62 NAG A 184 18.588 -14.258 16.268 1.00 0.00 H new HETATM 0 H61 NAG A 184 19.805 -14.495 17.506 1.00 0.00 H new HETATM 0 H5 NAG A 184 20.681 -13.011 15.778 1.00 0.00 H new HETATM 0 H4 NAG A 184 20.066 -11.497 18.302 1.00 0.00 H new HETATM 0 H3 NAG A 184 22.209 -11.100 16.192 1.00 0.00 H new HETATM 0 H2 NAG A 184 19.837 -9.361 16.936 1.00 0.00 H new HETATM 1553 C1 GAL A 185 21.785 -12.688 19.538 1.00 0.00 C HETATM 1554 C2 GAL A 185 20.514 -13.245 20.169 1.00 0.00 C HETATM 1555 C3 GAL A 185 20.629 -13.251 21.683 1.00 0.00 C HETATM 1556 C4 GAL A 185 21.910 -13.938 22.121 1.00 0.00 C HETATM 1557 C5 GAL A 185 23.111 -13.351 21.391 1.00 0.00 C HETATM 1558 C6 GAL A 185 24.395 -14.082 21.719 1.00 0.00 C HETATM 1559 O2 GAL A 185 19.409 -12.435 19.796 1.00 0.00 O HETATM 1560 O3 GAL A 185 19.518 -13.945 22.229 1.00 0.00 O HETATM 1561 O4 GAL A 185 21.820 -15.326 21.829 1.00 0.00 O HETATM 1562 O5 GAL A 185 22.934 -13.429 19.964 1.00 0.00 O HETATM 1563 O6 GAL A 185 24.696 -13.990 23.104 1.00 0.00 O HETATM 0 HO6 GAL A 185 25.529 -14.472 23.290 1.00 0.00 H new HETATM 0 HO4 GAL A 185 22.183 -15.496 20.935 1.00 0.00 H new HETATM 0 HO3 GAL A 185 19.742 -14.894 22.330 1.00 0.00 H new HETATM 0 HO2 GAL A 185 18.719 -12.484 20.490 1.00 0.00 H new HETATM 0 H62 GAL A 185 24.304 -15.130 21.432 1.00 0.00 H new HETATM 0 H61 GAL A 185 25.215 -13.662 21.137 1.00 0.00 H new HETATM 0 H5 GAL A 185 23.182 -12.315 21.722 1.00 0.00 H new HETATM 0 H4 GAL A 185 22.041 -13.785 23.192 1.00 0.00 H new HETATM 0 H3 GAL A 185 20.645 -12.221 22.039 1.00 0.00 H new HETATM 0 H2 GAL A 185 20.370 -14.267 19.818 1.00 0.00 H new HETATM 1575 C1 GAL A 186 11.623 -19.209 7.560 1.00 0.00 C HETATM 1576 C2 GAL A 186 10.938 -19.833 8.769 1.00 0.00 C HETATM 1577 C3 GAL A 186 10.720 -21.320 8.550 1.00 0.00 C HETATM 1578 C4 GAL A 186 10.019 -21.569 7.226 1.00 0.00 C HETATM 1579 C5 GAL A 186 10.752 -20.870 6.091 1.00 0.00 C HETATM 1580 C6 GAL A 186 10.025 -21.000 4.767 1.00 0.00 C HETATM 1581 O2 GAL A 186 11.756 -19.645 9.913 1.00 0.00 O HETATM 1582 O3 GAL A 186 9.922 -21.835 9.605 1.00 0.00 O HETATM 1583 O4 GAL A 186 8.692 -21.068 7.301 1.00 0.00 O HETATM 1584 O5 GAL A 186 10.885 -19.461 6.356 1.00 0.00 O HETATM 1585 O6 GAL A 186 8.714 -20.462 4.842 1.00 0.00 O HETATM 0 HO6 GAL A 186 8.270 -20.559 3.974 1.00 0.00 H new HETATM 0 HO4 GAL A 186 8.495 -20.542 6.498 1.00 0.00 H new HETATM 0 HO3 GAL A 186 8.975 -21.764 9.363 1.00 0.00 H new HETATM 0 HO2 GAL A 186 11.320 -20.043 10.696 1.00 0.00 H new HETATM 0 H62 GAL A 186 10.588 -20.484 3.989 1.00 0.00 H new HETATM 0 H61 GAL A 186 9.973 -22.050 4.480 1.00 0.00 H new HETATM 0 H5 GAL A 186 11.726 -21.356 6.027 1.00 0.00 H new HETATM 0 H4 GAL A 186 10.009 -22.641 7.030 1.00 0.00 H new HETATM 0 H3 GAL A 186 11.689 -21.818 8.533 1.00 0.00 H new HETATM 0 H2 GAL A 186 9.970 -19.354 8.913 1.00 0.00 H new